2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone

C15H17NO — CID 11579498

IUPAC2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cccn1C
InChIInChI=1S/C15H17NO/c1-11-6-4-7-12(2)13(11)10-15(17)14-8-5-9-16(14)3/h4-9H,10H2,1-3H3
InChIKeyDGBGBNHWBJNVIL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.07
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone

2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 11579498) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID11579498
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cccn1C
InChIInChI=1S/C15H17NO/c1-11-6-4-7-12(2)13(11)10-15(17)14-8-5-9-16(14)3/h4-9H,10H2,1-3H3
InChIKeyDGBGBNHWBJNVIL-UHFFFAOYSA-N
XLogP3.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone 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-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone (CID 11579498) is 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone is Cc1cccc(C)c1CC(=O)c1cccn1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is DGBGBNHWBJNVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-6-4-7-12(2)13(11)10-15(17)14-8-5-9-16(14)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone?
2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 227.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 11579498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).