5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid

C14H15NO2 — CID 43671773

IUPAC5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1
InChIInChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17)
InChIKeyKDUMYGZIFBSWMG-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.01
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid

5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 43671773) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID43671773
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1
InChIInChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17)
InChIKeyKDUMYGZIFBSWMG-UHFFFAOYSA-N
XLogP3.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid (CID 43671773) is 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)n2C)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is KDUMYGZIFBSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-5-11(10(2)8-9)12-6-7-13(14(16)17)15(12)3/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid?
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).