(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one

C24H21NO — CID 10521059

IUPAC(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
SMILESO=C1/C(=C/c2ccccc2)C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H21NO/c26-24-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)18-25(24)17-20-12-6-2-7-13-20/h1-16,23H,17-18H2/b22-16+
InChIKeyPKTHZHDYNSKVHK-CJLVFECKSA-N
MW339.44 g/mol
LogP4.90
Rot. Bonds4

About (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one

(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one (PubChem CID 10521059) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
PubChem CID10521059
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
SMILESO=C1/C(=C/c2ccccc2)C(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H21NO/c26-24-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)18-25(24)17-20-12-6-2-7-13-20/h1-16,23H,17-18H2/b22-16+
InChIKeyPKTHZHDYNSKVHK-CJLVFECKSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
CID 174765027
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
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(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
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1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one?
The IUPAC name of (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one (CID 10521059) is (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one is O=C1/C(=C/c2ccccc2)C(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one?
The InChIKey is PKTHZHDYNSKVHK-CJLVFECKSA-N. The full InChI is InChI=1S/C24H21NO/c26-24-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)18-25(24)17-20-12-6-2-7-13-20/h1-16,23H,17-18H2/b22-16+.
What are the key properties of (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one?
(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 10521059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).