3H-pyrrole-2-carboxylic acid

C5H5NO2 — CID 59807286

IUPAC3H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1=NC=CC1
InChIInChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1,3H,2H2,(H,7,8)
InChIKeyWZBWQKBWLKHBNC-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.43
Rot. Bonds1

About 3H-pyrrole-2-carboxylic acid

3H-pyrrole-2-carboxylic acid (PubChem CID 59807286) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 3H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3H-pyrrole-2-carboxylic acid
PubChem CID59807286
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name3H-pyrrole-2-carboxylic acid
SMILESO=C(O)C1=NC=CC1
InChIInChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1,3H,2H2,(H,7,8)
InChIKeyWZBWQKBWLKHBNC-UHFFFAOYSA-N
XLogP0.43
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3H-pyrrole-2-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 3H-pyrrole-2-carboxylic acid?
The IUPAC name of 3H-pyrrole-2-carboxylic acid (CID 59807286) is 3H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3H-pyrrole-2-carboxylic acid is O=C(O)C1=NC=CC1.
What is the InChIKey of 3H-pyrrole-2-carboxylic acid?
The InChIKey is WZBWQKBWLKHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1,3H,2H2,(H,7,8).
What are the key properties of 3H-pyrrole-2-carboxylic acid?
3H-pyrrole-2-carboxylic acid has a molecular weight of 111.10 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 59807286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).