(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone

C13H13NO — CID 3648688

IUPAC(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccn2C)cc1
InChIInChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-3-9-14(12)2/h3-9H,1-2H3
InChIKeyWKUBFPPJDMDEFL-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.56
Rot. Bonds2

About (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone

(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 3648688) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
PubChem CID3648688
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cccn2C)cc1
InChIInChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-3-9-14(12)2/h3-9H,1-2H3
InChIKeyWKUBFPPJDMDEFL-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone 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 (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone (CID 3648688) is (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone is Cc1ccc(C(=O)c2cccn2C)cc1.
What is the InChIKey of (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is WKUBFPPJDMDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-3-9-14(12)2/h3-9H,1-2H3.
What are the key properties of (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone?
(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 3648688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).