2-(2,3-dimethylphenyl)-1-methylpyrrole

C13H15N — CID 173078137

IUPAC2-(2,3-dimethylphenyl)-1-methylpyrrole
SMILESCc1cccc(-c2cccn2C)c1C
InChIInChI=1S/C13H15N/c1-10-6-4-7-12(11(10)2)13-8-5-9-14(13)3/h4-9H,1-3H3
InChIKeyLJUKTTVYJJQZDA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.31
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-1-methylpyrrole

2-(2,3-dimethylphenyl)-1-methylpyrrole (PubChem CID 173078137) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1-methylpyrrole
PubChem CID173078137
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(2,3-dimethylphenyl)-1-methylpyrrole
SMILESCc1cccc(-c2cccn2C)c1C
InChIInChI=1S/C13H15N/c1-10-6-4-7-12(11(10)2)13-8-5-9-14(13)3/h4-9H,1-3H3
InChIKeyLJUKTTVYJJQZDA-UHFFFAOYSA-N
XLogP3.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,3-dimethylphenyl)-1-methylpyrrole 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 2-(2,3-dimethylphenyl)-1-methylpyrrole?
The IUPAC name of 2-(2,3-dimethylphenyl)-1-methylpyrrole (CID 173078137) is 2-(2,3-dimethylphenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1-methylpyrrole?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1-methylpyrrole is Cc1cccc(-c2cccn2C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1-methylpyrrole?
The InChIKey is LJUKTTVYJJQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-6-4-7-12(11(10)2)13-8-5-9-14(13)3/h4-9H,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-1-methylpyrrole?
2-(2,3-dimethylphenyl)-1-methylpyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1-methylpyrrole is sourced from PubChem (CID 173078137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).