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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1,3-Dimethyl-2-imidazolidinone, Honeywell Riedel-de Haën™

CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O

PubChem CID 6661
CAS 80-73-9
Molecular Weight (g/mol) 114.15
MDL Number MFCD00003188
SMILES CN1CCN(C)C1=O
Synonym 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea
IUPAC Name 1,3-dimethylimidazolidin-2-one
InChI Key CYSGHNMQYZDMIA-UHFFFAOYSA-N
Molecular Formula C5H10N2O
4

1,10-Phenanthroline Hydrochloride Monohydrate,99.5 to 102% (calc. on dry substance), Honeywell™ Fluka™

CAS: 18851-33-7 Molecular Formula: C12H11ClN2O Molecular Weight (g/mol): 234.683 MDL Number: MFCD00150061 InChI Key: NDLHUHRGAIHALB-UHFFFAOYSA-N Synonym: 1,10-phenanthroline hydrochloride monohydrate,1,10-phenanthroline hydrochloride hydrate,1,10-phenanthroline monohydrochloride monohydrate,1,10-phenanthroline hydrate hydrochloride,1,10-phenanthroline, monohydrochloride, monohydrate,phen hydrate hydrochloride,acmc-209iz9,dsstox_cid_24309,dsstox_rid_80145,dsstox_gsid_44309 PubChem CID: 2723715 IUPAC Name: 1,10-phenanthroline;hydrate;hydrochloride SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl

PubChem CID 2723715
CAS 18851-33-7
Molecular Weight (g/mol) 234.683
MDL Number MFCD00150061
SMILES C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl
Synonym 1,10-phenanthroline hydrochloride monohydrate,1,10-phenanthroline hydrochloride hydrate,1,10-phenanthroline monohydrochloride monohydrate,1,10-phenanthroline hydrate hydrochloride,1,10-phenanthroline, monohydrochloride, monohydrate,phen hydrate hydrochloride,acmc-209iz9,dsstox_cid_24309,dsstox_rid_80145,dsstox_gsid_44309
IUPAC Name 1,10-phenanthroline;hydrate;hydrochloride
InChI Key NDLHUHRGAIHALB-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O
5

2-Pyrrolidinone, 99%

CAS: 616-45-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005270 InChI Key: HNJBEVLQSNELDL-UHFFFAOYSA-N Synonym: 2-pyrrolidinone,pyrrolidone,butyrolactam,2-pyrrolidone,2-oxopyrrolidine,pyrrolidon,2-ketopyrrolidine,2-pyrol,pyrrolidinone,gamma-butyrolactam PubChem CID: 12025 ChEBI: CHEBI:36592 IUPAC Name: pyrrolidin-2-one SMILES: C1CC(=O)NC1

EDGE
PubChem CID 12025
CAS 616-45-5
Molecular Weight (g/mol) 85.11
ChEBI CHEBI:36592
MDL Number MFCD00005270
SMILES C1CC(=O)NC1
Synonym 2-pyrrolidinone,pyrrolidone,butyrolactam,2-pyrrolidone,2-oxopyrrolidine,pyrrolidon,2-ketopyrrolidine,2-pyrol,pyrrolidinone,gamma-butyrolactam
IUPAC Name pyrrolidin-2-one
InChI Key HNJBEVLQSNELDL-UHFFFAOYSA-N
Molecular Formula C4H7NO
6

2,5-Dibromo-3,4-dinitrothiophene, Thermo Scientific Chemicals

CAS: 52431-30-8 Molecular Formula: C4Br2N2O4S Molecular Weight (g/mol): 331.92 MDL Number: MFCD00015537 InChI Key: AHGHPBPARMANQD-UHFFFAOYSA-N Synonym: 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc PubChem CID: 257024 IUPAC Name: 2,5-dibromo-3,4-dinitrothiophene SMILES: [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O

PubChem CID 257024
CAS 52431-30-8
Molecular Weight (g/mol) 331.92
MDL Number MFCD00015537
SMILES [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O
Synonym 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc
IUPAC Name 2,5-dibromo-3,4-dinitrothiophene
InChI Key AHGHPBPARMANQD-UHFFFAOYSA-N
Molecular Formula C4Br2N2O4S
7

1,3-Dimethyl-2-imidazolidinone, 98%

CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O

EDGE
PubChem CID 6661
CAS 80-73-9
Molecular Weight (g/mol) 114.15
MDL Number MFCD00003188
SMILES CN1CCN(C)C1=O
Synonym 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea
IUPAC Name 1,3-dimethylimidazolidin-2-one
InChI Key CYSGHNMQYZDMIA-UHFFFAOYSA-N
Molecular Formula C5H10N2O
8

2,5-Dibromo-3,4-dinitrothiophene, 95%

CAS: 52431-30-8 Molecular Formula: C4Br2N2O4S Molecular Weight (g/mol): 331.92 MDL Number: MFCD00015537 InChI Key: AHGHPBPARMANQD-UHFFFAOYSA-N Synonym: 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc PubChem CID: 257024 IUPAC Name: 2,5-dibromo-3,4-dinitrothiophene SMILES: [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O

PubChem CID 257024
CAS 52431-30-8
Molecular Weight (g/mol) 331.92
MDL Number MFCD00015537
SMILES [O-][N+](=O)C1=C(Br)SC(Br)=C1[N+]([O-])=O
Synonym 2,5-dibromo-3,4-dinitro-thiophene,thiophene, 2,5-dibromo-3,4-dinitro,acmc-1apgk,ksc491i5j,2,5-dibromo-3,4-dinitrothiophene gc
IUPAC Name 2,5-dibromo-3,4-dinitrothiophene
InChI Key AHGHPBPARMANQD-UHFFFAOYSA-N
Molecular Formula C4Br2N2O4S
9

N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH

CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O

EDGE
PubChem CID 6917
CAS 88-12-0
Molecular Weight (g/mol) 111.14
ChEBI CHEBI:82551
MDL Number MFCD00003197
SMILES C=CN1CCCC1=O
Synonym n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula C6H9NO
10

3-Bromocarbazole, 98%

CAS: 1592-95-6 Molecular Formula: C12H8BrN Molecular Weight (g/mol): 246.107 MDL Number: MFCD00222621 InChI Key: LTBWKAYPXIIVPC-UHFFFAOYSA-N Synonym: 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc PubChem CID: 252446 IUPAC Name: 3-bromo-9H-carbazole SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br

PubChem CID 252446
CAS 1592-95-6
Molecular Weight (g/mol) 246.107
MDL Number MFCD00222621
SMILES C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
Synonym 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc
IUPAC Name 3-bromo-9H-carbazole
InChI Key LTBWKAYPXIIVPC-UHFFFAOYSA-N
Molecular Formula C12H8BrN
11

8-Hydroxyquinoline-2-carbonitrile, 98%

CAS: 6759-78-0 Molecular Formula: C10H6N2O Molecular Weight (g/mol): 170.171 MDL Number: MFCD00216717 InChI Key: KUQKKIBQVSFDHX-UHFFFAOYSA-N PubChem CID: 2734032 IUPAC Name: 8-hydroxyquinoline-2-carbonitrile SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C#N

PubChem CID 2734032
CAS 6759-78-0
Molecular Weight (g/mol) 170.171
MDL Number MFCD00216717
SMILES C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
IUPAC Name 8-hydroxyquinoline-2-carbonitrile
InChI Key KUQKKIBQVSFDHX-UHFFFAOYSA-N
Molecular Formula C10H6N2O
12

7-Ethylindole, 98+%

CAS: 22867-74-9 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00143514 InChI Key: PIIZLMYXLGYWTN-UHFFFAOYSA-N Synonym: 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc PubChem CID: 2724711 IUPAC Name: 7-ethyl-1H-indole SMILES: CCC1=C2NC=CC2=CC=C1

PubChem CID 2724711
CAS 22867-74-9
Molecular Weight (g/mol) 145.21
MDL Number MFCD00143514
SMILES CCC1=C2NC=CC2=CC=C1
Synonym 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc
IUPAC Name 7-ethyl-1H-indole
InChI Key PIIZLMYXLGYWTN-UHFFFAOYSA-N
Molecular Formula C10H11N
13

5-Aminoquinoline

CAS: 611-34-7 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00006797 InChI Key: XMIAFAKRAAMSGX-UHFFFAOYSA-N Synonym: 5-aminoquinoline,5-quinolinamine,quinoline, 5-amino,5-quinolylamine,quinolin-5-ylamine,unii-yyj34z13sh,5-amino-quinoline,ccris 1680,yyj34z13sh PubChem CID: 11911 IUPAC Name: quinolin-5-amine SMILES: NC1=C2C=CC=NC2=CC=C1

PubChem CID 11911
CAS 611-34-7
Molecular Weight (g/mol) 144.18
MDL Number MFCD00006797
SMILES NC1=C2C=CC=NC2=CC=C1
Synonym 5-aminoquinoline,5-quinolinamine,quinoline, 5-amino,5-quinolylamine,quinolin-5-ylamine,unii-yyj34z13sh,5-amino-quinoline,ccris 1680,yyj34z13sh
IUPAC Name quinolin-5-amine
InChI Key XMIAFAKRAAMSGX-UHFFFAOYSA-N
Molecular Formula C9H8N2
14

8-Hydroxyquinoline-2-carbonitrile, 98%

CAS: 6759-78-0 Molecular Formula: C10H6N2O Molecular Weight (g/mol): 170.17 MDL Number: MFCD00216717 InChI Key: KUQKKIBQVSFDHX-UHFFFAOYSA-N Synonym: 8-hydroxy-2-quinolinecarbonitrile,8-hydroxyquinaldonitrile,2-quinolinecarbonitrile,8-hydroxy,acmc-20alwc,2-cyano-8-hydroxyquinoline,8-hydroxy-2-quinolinecarbonitril,2-quinolinecarbonitrile, 8-hydroxy,8-hydroxy-2-quinolinecarbonitrile gc PubChem CID: 2734032 IUPAC Name: 8-hydroxyquinoline-2-carbonitrile SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C#N

PubChem CID 2734032
CAS 6759-78-0
Molecular Weight (g/mol) 170.17
MDL Number MFCD00216717
SMILES C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
Synonym 8-hydroxy-2-quinolinecarbonitrile,8-hydroxyquinaldonitrile,2-quinolinecarbonitrile,8-hydroxy,acmc-20alwc,2-cyano-8-hydroxyquinoline,8-hydroxy-2-quinolinecarbonitril,2-quinolinecarbonitrile, 8-hydroxy,8-hydroxy-2-quinolinecarbonitrile gc
IUPAC Name 8-hydroxyquinoline-2-carbonitrile
InChI Key KUQKKIBQVSFDHX-UHFFFAOYSA-N
Molecular Formula C10H6N2O
15

3-Bromo-9H-carbazole, 97%, Thermo Scientific™

CAS: 1592-95-6 Molecular Formula: C12H8BrN Molecular Weight (g/mol): 246.107 InChI Key: LTBWKAYPXIIVPC-UHFFFAOYSA-N Synonym: 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc PubChem CID: 252446 IUPAC Name: 3-bromo-9H-carbazole SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br

PubChem CID 252446
CAS 1592-95-6
Molecular Weight (g/mol) 246.107
SMILES C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
Synonym 3-bromocarbazole,9h-carbazole, 3-bromo,3-brominecarbazole,3bromo-9h-carbazole,pubchem9950,maybridge1_004311,acmc-1bpt1,3-bromocarbazole gc
IUPAC Name 3-bromo-9H-carbazole
InChI Key LTBWKAYPXIIVPC-UHFFFAOYSA-N
Molecular Formula C12H8BrN