1H-pyrrole-3-carboxamide

C5H6N2O — CID 19067979

IUPAC1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1
InChIInChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)
InChIKeyAKWIAIDKXNKXDI-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.11
Rot. Bonds1

About 1H-pyrrole-3-carboxamide

1H-pyrrole-3-carboxamide (PubChem CID 19067979) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1H-pyrrole-3-carboxamide
PubChem CID19067979
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc[nH]c1
InChIInChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)
InChIKeyAKWIAIDKXNKXDI-UHFFFAOYSA-N
XLogP0.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-3-carboxamide?
The IUPAC name of 1H-pyrrole-3-carboxamide (CID 19067979) is 1H-pyrrole-3-carboxamide.
What is the SMILES notation for 1H-pyrrole-3-carboxamide?
The canonical SMILES for 1H-pyrrole-3-carboxamide is NC(=O)c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole-3-carboxamide?
The InChIKey is AKWIAIDKXNKXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8).
What are the key properties of 1H-pyrrole-3-carboxamide?
1H-pyrrole-3-carboxamide has a molecular weight of 110.12 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-3-carboxamide is sourced from PubChem (CID 19067979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).