5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid

C12H11NO2 — CID 82397337

IUPAC5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)c(C(=O)O)[nH]1
InChIInChI=1S/C12H11NO2/c1-8-7-10(11(13-8)12(14)15)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,15)
InChIKeyGILHPQBLSFVUDK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.69
Rot. Bonds2

About 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid

5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid (PubChem CID 82397337) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid
PubChem CID82397337
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)c(C(=O)O)[nH]1
InChIInChI=1S/C12H11NO2/c1-8-7-10(11(13-8)12(14)15)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,15)
InChIKeyGILHPQBLSFVUDK-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-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid (CID 82397337) is 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid is Cc1cc(-c2ccccc2)c(C(=O)O)[nH]1.
What is the InChIKey of 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is GILHPQBLSFVUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-7-10(11(13-8)12(14)15)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,14,15).
What are the key properties of 5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid?
5-methyl-3-phenyl-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-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 82397337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).