1-(diphenylphosphorylmethyl)pyrrolidin-2-one

C17H18NO2P — CID 10086097

IUPAC1-(diphenylphosphorylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c19-17-12-7-13-18(17)14-21(20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2
InChIKeyBDRFVJFWLDYRNE-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.58
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)pyrrolidin-2-one

1-(diphenylphosphorylmethyl)pyrrolidin-2-one (PubChem CID 10086097) has the molecular formula C17H18NO2P and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)pyrrolidin-2-one
PubChem CID10086097
Molecular FormulaC17H18NO2P
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-(diphenylphosphorylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c19-17-12-7-13-18(17)14-21(20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2
InChIKeyBDRFVJFWLDYRNE-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.58
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-(diphenylphosphorylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(diphenylphosphorylmethyl)pyrrolidin-2-one (CID 10086097) is 1-(diphenylphosphorylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(diphenylphosphorylmethyl)pyrrolidin-2-one is O=C1CCCN1CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)pyrrolidin-2-one?
The InChIKey is BDRFVJFWLDYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO2P/c19-17-12-7-13-18(17)14-21(20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2.
What are the key properties of 1-(diphenylphosphorylmethyl)pyrrolidin-2-one?
1-(diphenylphosphorylmethyl)pyrrolidin-2-one has a molecular weight of 299.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 10086097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).