2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone

C13H17NO — CID 6470987

IUPAC2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccccc1CC(=O)N1CCCC1
InChIInChI=1S/C13H17NO/c1-11-6-2-3-7-12(11)10-13(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyPOVIKIHVCVHSQC-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone

2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 6470987) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID6470987
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1ccccc1CC(=O)N1CCCC1
InChIInChI=1S/C13H17NO/c1-11-6-2-3-7-12(11)10-13(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyPOVIKIHVCVHSQC-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone 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-methylphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone (CID 6470987) is 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone is Cc1ccccc1CC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is POVIKIHVCVHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-6-2-3-7-12(11)10-13(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone?
2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 203.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6470987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).