3-acetyl-1,4-diphenylazetidin-2-one

C17H15NO2 — CID 12575792

IUPAC3-acetyl-1,4-diphenylazetidin-2-one
SMILESCC(=O)C1C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3
InChIKeyVCHKZNUEGDWAJD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.98
Rot. Bonds3

About 3-acetyl-1,4-diphenylazetidin-2-one

3-acetyl-1,4-diphenylazetidin-2-one (PubChem CID 12575792) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-acetyl-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name3-acetyl-1,4-diphenylazetidin-2-one
PubChem CID12575792
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-acetyl-1,4-diphenylazetidin-2-one
SMILESCC(=O)C1C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3
InChIKeyVCHKZNUEGDWAJD-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
methyl 3-[[(3R,4S)-2-oxo-1,4-diphenylazetidin-3-yl]amino]but-2-enoate
CID 70577054
(3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 11069031
methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
CID 11220613
(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
CID 10755410
3-(methoxymethoxy)-1,4-diphenylazetidin-2-one
CID 500118
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
benzyl N-[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]-N-phenylmethoxycarbonylcarbamate
CID 15858119
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,4-diphenylazetidin-2-one?
The IUPAC name of 3-acetyl-1,4-diphenylazetidin-2-one (CID 12575792) is 3-acetyl-1,4-diphenylazetidin-2-one.
What is the SMILES notation for 3-acetyl-1,4-diphenylazetidin-2-one?
The canonical SMILES for 3-acetyl-1,4-diphenylazetidin-2-one is CC(=O)C1C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1,4-diphenylazetidin-2-one?
The InChIKey is VCHKZNUEGDWAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18(17(15)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3.
What are the key properties of 3-acetyl-1,4-diphenylazetidin-2-one?
3-acetyl-1,4-diphenylazetidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 12575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).