(4E)-4-benzylidene-1,3-diphenylazetidin-2-one

C22H17NO — CID 50943990

IUPAC(4E)-4-benzylidene-1,3-diphenylazetidin-2-one
SMILESO=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO/c24-22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23(22)19-14-8-3-9-15-19/h1-16,21H/b20-16+
InChIKeyCQFYKXHYICEKNG-CAPFRKAQSA-N
MW311.38 g/mol
LogP4.86
Rot. Bonds3

About (4E)-4-benzylidene-1,3-diphenylazetidin-2-one

(4E)-4-benzylidene-1,3-diphenylazetidin-2-one (PubChem CID 50943990) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (4E)-4-benzylidene-1,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(4E)-4-benzylidene-1,3-diphenylazetidin-2-one
PubChem CID50943990
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(4E)-4-benzylidene-1,3-diphenylazetidin-2-one
SMILESO=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO/c24-22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23(22)19-14-8-3-9-15-19/h1-16,21H/b20-16+
InChIKeyCQFYKXHYICEKNG-CAPFRKAQSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E)-4-benzylidene-1,3-diphenylazetidin-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 (4E)-4-benzylidene-1,3-diphenylazetidin-2-one?
The IUPAC name of (4E)-4-benzylidene-1,3-diphenylazetidin-2-one (CID 50943990) is (4E)-4-benzylidene-1,3-diphenylazetidin-2-one.
What is the SMILES notation for (4E)-4-benzylidene-1,3-diphenylazetidin-2-one?
The canonical SMILES for (4E)-4-benzylidene-1,3-diphenylazetidin-2-one is O=C1C(c2ccccc2)/C(=C\c2ccccc2)N1c1ccccc1.
What is the InChIKey of (4E)-4-benzylidene-1,3-diphenylazetidin-2-one?
The InChIKey is CQFYKXHYICEKNG-CAPFRKAQSA-N. The full InChI is InChI=1S/C22H17NO/c24-22-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)23(22)19-14-8-3-9-15-19/h1-16,21H/b20-16+.
What are the key properties of (4E)-4-benzylidene-1,3-diphenylazetidin-2-one?
(4E)-4-benzylidene-1,3-diphenylazetidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidene-1,3-diphenylazetidin-2-one is sourced from PubChem (CID 50943990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).