5-methyl-1H-pyrrole-3-carboxylic acid

C6H7NO2 — CID 34179172

IUPAC5-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c[nH]1
InChIInChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyCOMZOQAWNKVQEZ-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.02
Rot. Bonds1

About 5-methyl-1H-pyrrole-3-carboxylic acid

5-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 34179172) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID34179172
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name5-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c[nH]1
InChIInChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyCOMZOQAWNKVQEZ-UHFFFAOYSA-N
XLogP1.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1H-pyrrole-3-carboxylic acid 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 5-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-methyl-1H-pyrrole-3-carboxylic acid (CID 34179172) is 5-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1H-pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c[nH]1.
What is the InChIKey of 5-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is COMZOQAWNKVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-5(3-7-4)6(8)9/h2-3,7H,1H3,(H,8,9).
What are the key properties of 5-methyl-1H-pyrrole-3-carboxylic acid?
5-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 125.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 34179172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).