1H-pyrrole-2-carboxamide

C5H6N2O — CID 573553

IUPAC1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc[nH]1
InChIInChI=1S/C5H6N2O/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8)
InChIKeyRLOQBKJCOAXOLR-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.11
Rot. Bonds1

About 1H-pyrrole-2-carboxamide

1H-pyrrole-2-carboxamide (PubChem CID 573553) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name1H-pyrrole-2-carboxamide
PubChem CID573553
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc[nH]1
InChIInChI=1S/C5H6N2O/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8)
InChIKeyRLOQBKJCOAXOLR-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

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Related Compounds

2-Acetylpyrrole
CID 14079
1-Methyl-1H-pyrrole-2-carbaldehyde
CID 14504
Pyrrole-2-carboxaldehyde
CID 13854
2-Acetyl-1-methylpyrrole
CID 61240
9-Deazaguanine
CID 135461003
2-Propionylpyrrole
CID 61260
2-Pyridinecarboxamide
CID 15070
9-Deazahypoxanthine
CID 135488881
Pyrrole-2-Carboxylate
CID 3330246
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2-carboxamide?
The IUPAC name of 1H-pyrrole-2-carboxamide (CID 573553) is 1H-pyrrole-2-carboxamide.
What is the SMILES notation for 1H-pyrrole-2-carboxamide?
The canonical SMILES for 1H-pyrrole-2-carboxamide is NC(=O)c1ccc[nH]1.
What is the InChIKey of 1H-pyrrole-2-carboxamide?
The InChIKey is RLOQBKJCOAXOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8).
What are the key properties of 1H-pyrrole-2-carboxamide?
1H-pyrrole-2-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-2-carboxamide is sourced from PubChem (CID 573553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).