2-methyl-1-phenylpyrrole-3-carboxylic acid

C12H11NO2 — CID 68571473

IUPAC2-methyl-1-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)ccn1-c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyZEPJBJJWMZRTFB-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.48
Rot. Bonds2

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

2-methyl-1-phenylpyrrole-3-carboxylic acid (PubChem CID 68571473) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-methyl-1-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-phenylpyrrole-3-carboxylic acid
PubChem CID68571473
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-methyl-1-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)ccn1-c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyZEPJBJJWMZRTFB-UHFFFAOYSA-N
XLogP2.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-phenylpyrrole-3-carboxylic acid (CID 68571473) is 2-methyl-1-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-phenylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)ccn1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpyrrole-3-carboxylic acid?
The InChIKey is ZEPJBJJWMZRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-11(12(14)15)7-8-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of 2-methyl-1-phenylpyrrole-3-carboxylic acid?
2-methyl-1-phenylpyrrole-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 68571473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).