1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide

C9H13N3O — CID 122445937

IUPAC1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-3-5-12(6-7)8-2-1-4-11-8/h1-2,4,7,11H,3,5-6H2,(H2,10,13)
InChIKeyJRVZCAJUMDMKQD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.33
Rot. Bonds2

About 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide

1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 122445937) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
PubChem CID122445937
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc[nH]2)C1
InChIInChI=1S/C9H13N3O/c10-9(13)7-3-5-12(6-7)8-2-1-4-11-8/h1-2,4,7,11H,3,5-6H2,(H2,10,13)
InChIKeyJRVZCAJUMDMKQD-UHFFFAOYSA-N
XLogP0.33
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 86258315
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 77230471
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide (CID 122445937) is 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccc[nH]2)C1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JRVZCAJUMDMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(13)7-3-5-12(6-7)8-2-1-4-11-8/h1-2,4,7,11H,3,5-6H2,(H2,10,13).
What are the key properties of 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide?
1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 122445937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).