2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide

C13H13N3O — CID 175773827

IUPAC2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1c2ccccc2CC1c1cc[nH]c1
InChIInChI=1S/C13H13N3O/c14-13(17)16-11-4-2-1-3-9(11)7-12(16)10-5-6-15-8-10/h1-6,8,12,15H,7H2,(H2,14,17)
InChIKeyYRUIRENGAHMBHV-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.20
Rot. Bonds1

About 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide

2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 175773827) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID175773827
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)N1c2ccccc2CC1c1cc[nH]c1
InChIInChI=1S/C13H13N3O/c14-13(17)16-11-4-2-1-3-9(11)7-12(16)10-5-6-15-8-10/h1-6,8,12,15H,7H2,(H2,14,17)
InChIKeyYRUIRENGAHMBHV-UHFFFAOYSA-N
XLogP2.20
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-pyridin-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 141417552
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717
2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 161285251
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide (CID 175773827) is 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide is NC(=O)N1c2ccccc2CC1c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is YRUIRENGAHMBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(17)16-11-4-2-1-3-9(11)7-12(16)10-5-6-15-8-10/h1-6,8,12,15H,7H2,(H2,14,17).
What are the key properties of 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide?
2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 175773827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).