3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one

C21H25NO — CID 11695230

IUPAC3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1ccccc1C(C)C1CCN(C(C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-15-9-7-8-12-19(15)16(2)20-13-14-22(21(20)23)17(3)18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3
InChIKeyOJJJEDHYDOPGSV-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.71
Rot. Bonds4

About 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one

3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 11695230) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID11695230
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1ccccc1C(C)C1CCN(C(C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-15-9-7-8-12-19(15)16(2)20-13-14-22(21(20)23)17(3)18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3
InChIKeyOJJJEDHYDOPGSV-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one 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 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 11695230) is 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one is Cc1ccccc1C(C)C1CCN(C(C)c2ccccc2)C1=O.
What is the InChIKey of 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is OJJJEDHYDOPGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-9-7-8-12-19(15)16(2)20-13-14-22(21(20)23)17(3)18-10-5-4-6-11-18/h4-12,16-17,20H,13-14H2,1-3H3.
What are the key properties of 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one?
3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 11695230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).