3-methoxy-1-phenylpyrrole-2-carboxylic acid

C12H11NO3 — CID 67053595

IUPAC3-methoxy-1-phenylpyrrole-2-carboxylic acid
SMILESCOc1ccn(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H11NO3/c1-16-10-7-8-13(11(10)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyOEAMGPWQTIPORH-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.18
Rot. Bonds3

About 3-methoxy-1-phenylpyrrole-2-carboxylic acid

3-methoxy-1-phenylpyrrole-2-carboxylic acid (PubChem CID 67053595) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-methoxy-1-phenylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-phenylpyrrole-2-carboxylic acid
PubChem CID67053595
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-methoxy-1-phenylpyrrole-2-carboxylic acid
SMILESCOc1ccn(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H11NO3/c1-16-10-7-8-13(11(10)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyOEAMGPWQTIPORH-UHFFFAOYSA-N
XLogP2.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-phenylpyrrole-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 3-methoxy-1-phenylpyrrole-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-phenylpyrrole-2-carboxylic acid (CID 67053595) is 3-methoxy-1-phenylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-phenylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-phenylpyrrole-2-carboxylic acid is COc1ccn(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 3-methoxy-1-phenylpyrrole-2-carboxylic acid?
The InChIKey is OEAMGPWQTIPORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-10-7-8-13(11(10)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of 3-methoxy-1-phenylpyrrole-2-carboxylic acid?
3-methoxy-1-phenylpyrrole-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylpyrrole-2-carboxylic acid is sourced from PubChem (CID 67053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).