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

C23H22NO2P — CID 15185150

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 Name1-diphenylphosphoryl-3,3-dimethyl-4-phenylazetidin-2-one
PubChem CID15185150
Molecular FormulaC23H22NO2P
Molecular Weight375.41 g/mol
Exact Mass375.14
IUPAC Name1-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
XLogP4.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).