1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one

C20H21NO — CID 132510401

IUPAC1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
SMILESCc1ccccc1/C=C/C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-16-7-5-6-10-18(16)11-12-19-13-14-20(22)21(19)15-17-8-3-2-4-9-17/h2-12,19H,13-15H2,1H3/b12-11+
InChIKeyYAUMLDOKOWVWLL-VAWYXSNFSA-N
MW291.39 g/mol
LogP4.20
Rot. Bonds4

About 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one

1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one (PubChem CID 132510401) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
PubChem CID132510401
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one
SMILESCc1ccccc1/C=C/C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-16-7-5-6-10-18(16)11-12-19-13-14-20(22)21(19)15-17-8-3-2-4-9-17/h2-12,19H,13-15H2,1H3/b12-11+
InChIKeyYAUMLDOKOWVWLL-VAWYXSNFSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]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 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one (CID 132510401) is 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one is Cc1ccccc1/C=C/C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one?
The InChIKey is YAUMLDOKOWVWLL-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21NO/c1-16-7-5-6-10-18(16)11-12-19-13-14-20(22)21(19)15-17-8-3-2-4-9-17/h2-12,19H,13-15H2,1H3/b12-11+.
What are the key properties of 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one?
1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 132510401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).