1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one

Name: 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₂NO₂P — CID 15185150

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one

SMILESCC1(C)C(=O)N(P(=O)(c2ccccc2)c2ccccc2)C1c1ccccc1

InChIInChI=1S/C23H22NO2P/c1-23(2)21(18-12-6-3-7-13-18)24(22(23)25)27(26,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,1-2H3

InChIKeyOIVVCGSMGWLHQX-UHFFFAOYSA-N

MW375.41 g/mol

LogP4.53

Rot. Bonds4

About 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one

1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one (PubChem CID 15185150) has the molecular formula C₂₃H₂₂NO₂P and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name	1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID	15185150
Molecular Formula	C₂₃H₂₂NO₂P
Molecular Weight	375.41 g/mol
Exact Mass	375.14
IUPAC Name	1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one
SMILES	CC1(C)C(=O)N(P(=O)(c2ccccc2)c2ccccc2)C1c1ccccc1
InChI	InChI=1S/C23H22NO2P/c1-23(2)21(18-12-6-3-7-13-18)24(22(23)25)27(26,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,1-2H3
InChIKey	OIVVCGSMGWLHQX-UHFFFAOYSA-N
XLogP	4.53
TPSA	37.38 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one?

The IUPAC name of 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one (CID 15185150) is 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one.

What is the SMILES notation for 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one?

The canonical SMILES for 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one is CC1(C)C(=O)N(P(=O)(c2ccccc2)c2ccccc2)C1c1ccccc1.

What is the InChIKey of 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one?

The InChIKey is OIVVCGSMGWLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO2P/c1-23(2)21(18-12-6-3-7-13-18)24(22(23)25)27(26,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,1-2H3.

What are the key properties of 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one?

1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one has a molecular weight of 375.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one is sourced from PubChem (CID 15185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15185150 — identifiers, structure, computed properties (public domain)

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