6-(diphenylphosphorylmethyl)-1H-pyridin-2-one

C18H16NO2P — CID 608502

IUPAC6-(diphenylphosphorylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CP(=O)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H16NO2P/c20-18-13-7-8-15(19-18)14-22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-13H,14H2,(H,19,20)
InChIKeyOHVQLLZOEWUBEI-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.89
Rot. Bonds4

About 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one

6-(diphenylphosphorylmethyl)-1H-pyridin-2-one (PubChem CID 608502) has the molecular formula C18H16NO2P and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(diphenylphosphorylmethyl)-1H-pyridin-2-one
PubChem CID608502
Molecular FormulaC18H16NO2P
Molecular Weight309.31 g/mol
Exact Mass309.09
IUPAC Name6-(diphenylphosphorylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CP(=O)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H16NO2P/c20-18-13-7-8-15(19-18)14-22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-13H,14H2,(H,19,20)
InChIKeyOHVQLLZOEWUBEI-UHFFFAOYSA-N
XLogP2.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one (CID 608502) is 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one is O=c1cccc(CP(=O)(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one?
The InChIKey is OHVQLLZOEWUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2P/c20-18-13-7-8-15(19-18)14-22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-13H,14H2,(H,19,20).
What are the key properties of 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one?
6-(diphenylphosphorylmethyl)-1H-pyridin-2-one has a molecular weight of 309.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diphenylphosphorylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 608502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).