1-methyl-4-phenylpyrrole-2-carboxylic acid

C12H11NO2 — CID 13331296

IUPAC1-methyl-4-phenylpyrrole-2-carboxylic acid
SMILESCn1cc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H11NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyZCTZBXTZTAQFRU-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-4-phenylpyrrole-2-carboxylic acid

1-methyl-4-phenylpyrrole-2-carboxylic acid (PubChem CID 13331296) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-methyl-4-phenylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-phenylpyrrole-2-carboxylic acid
PubChem CID13331296
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-methyl-4-phenylpyrrole-2-carboxylic acid
SMILESCn1cc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C12H11NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyZCTZBXTZTAQFRU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylpyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-phenylpyrrole-2-carboxylic acid (CID 13331296) is 1-methyl-4-phenylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-phenylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-phenylpyrrole-2-carboxylic acid is Cn1cc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-phenylpyrrole-2-carboxylic acid?
The InChIKey is ZCTZBXTZTAQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of 1-methyl-4-phenylpyrrole-2-carboxylic acid?
1-methyl-4-phenylpyrrole-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylpyrrole-2-carboxylic acid is sourced from PubChem (CID 13331296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).