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

C12H11NO2 — CID 10262219

IUPAC1-(4-methylphenyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-n2cccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO2/c1-9-4-6-10(7-5-9)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyDZVBLFFSFWALTK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.48
Rot. Bonds2

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

1-(4-methylphenyl)pyrrole-2-carboxylic acid (PubChem CID 10262219) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrrole-2-carboxylic acid
PubChem CID10262219
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(4-methylphenyl)pyrrole-2-carboxylic acid
SMILESCc1ccc(-n2cccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO2/c1-9-4-6-10(7-5-9)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15)
InChIKeyDZVBLFFSFWALTK-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 1-(4-methylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)pyrrole-2-carboxylic acid (CID 10262219) is 1-(4-methylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)pyrrole-2-carboxylic acid is Cc1ccc(-n2cccc2C(=O)O)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is DZVBLFFSFWALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9-4-6-10(7-5-9)13-8-2-3-11(13)12(14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 1-(4-methylphenyl)pyrrole-2-carboxylic acid?
1-(4-methylphenyl)pyrrole-2-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 1-(4-methylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 10262219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).