1H-pyrrole-2-carboxylic acid

C10H10N2O4 — CID 138734509

IUPAC1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1
InChIInChI=1S/2C5H5NO2/c2*7-5(8)4-2-1-3-6-4/h2*1-3,6H,(H,7,8)
InChIKeyNSHTYIJWFOTLLP-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.43
Rot. Bonds2

About 1H-pyrrole-2-carboxylic acid

1H-pyrrole-2-carboxylic acid (PubChem CID 138734509) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1H-pyrrole-2-carboxylic acid
PubChem CID138734509
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1
InChIInChI=1S/2C5H5NO2/c2*7-5(8)4-2-1-3-6-4/h2*1-3,6H,(H,7,8)
InChIKeyNSHTYIJWFOTLLP-UHFFFAOYSA-N
XLogP1.43
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1H-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 1H-pyrrole-2-carboxylic acid?
The IUPAC name of 1H-pyrrole-2-carboxylic acid (CID 138734509) is 1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc[nH]1.O=C(O)c1ccc[nH]1.
What is the InChIKey of 1H-pyrrole-2-carboxylic acid?
The InChIKey is NSHTYIJWFOTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO2/c2*7-5(8)4-2-1-3-6-4/h2*1-3,6H,(H,7,8).
What are the key properties of 1H-pyrrole-2-carboxylic acid?
1H-pyrrole-2-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 138734509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).