(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C23H19NO2 — CID 10640985

IUPAC(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)/C(=C\c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-26-20-14-12-19(13-15-20)24-22(18-10-6-3-7-11-18)21(23(24)25)16-17-8-4-2-5-9-17/h2-16,22H,1H3/b21-16-
InChIKeyILTZRFMNXLWZQZ-PGMHBOJBSA-N
MW341.41 g/mol
LogP4.87
Rot. Bonds4

About (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 10640985) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID10640985
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCOc1ccc(N2C(=O)/C(=C\c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H19NO2/c1-26-20-14-12-19(13-15-20)24-22(18-10-6-3-7-11-18)21(23(24)25)16-17-8-4-2-5-9-17/h2-16,22H,1H3/b21-16-
InChIKeyILTZRFMNXLWZQZ-PGMHBOJBSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
CID 100929846
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 4623143
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 11836579
4-[(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzaldehyde
CID 59447774
(3Z)-4-(4-bromophenyl)-3-[(4-methoxyphenyl)methylidene]-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
CID 5290790
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460
(3E)-3-[2-[2-[benzyl(methyl)amino]ethoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 88605295
(3E)-3-[2-[3-(benzylamino)propoxyimino]propylidene]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 154198562
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(4E)-1-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678546

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 10640985) is (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is COc1ccc(N2C(=O)/C(=C\c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is ILTZRFMNXLWZQZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19NO2/c1-26-20-14-12-19(13-15-20)24-22(18-10-6-3-7-11-18)21(23(24)25)16-17-8-4-2-5-9-17/h2-16,22H,1H3/b21-16-.
What are the key properties of (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 10640985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).