5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid

C12H11NO2 — CID 646320

IUPAC5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)[nH]2)cc1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyGUGAOFSHCGOMMW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.69
Rot. Bonds2

About 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid

5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 646320) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID646320
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)[nH]2)cc1
InChIInChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyGUGAOFSHCGOMMW-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid (CID 646320) is 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is GUGAOFSHCGOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15).
What are the key properties of 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid?
5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 646320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).