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

C18H16NOP — CID 139050391

IUPAC6-(diphenylphosphanylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CP(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H16NOP/c20-18-13-7-8-15(19-18)14-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-13H,14H2,(H,19,20)
InChIKeySKLTYEWORQMMLT-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.01
Rot. Bonds4

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

6-(diphenylphosphanylmethyl)-1H-pyridin-2-one (PubChem CID 139050391) has the molecular formula C18H16NOP and a molecular weight of 293.31 g/mol. Its IUPAC name is 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(diphenylphosphanylmethyl)-1H-pyridin-2-one
PubChem CID139050391
Molecular FormulaC18H16NOP
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name6-(diphenylphosphanylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CP(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C18H16NOP/c20-18-13-7-8-15(19-18)14-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-13H,14H2,(H,19,20)
InChIKeySKLTYEWORQMMLT-UHFFFAOYSA-N
XLogP3.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(diphenylphosphanylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one (CID 139050391) is 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one is O=c1cccc(CP(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one?
The InChIKey is SKLTYEWORQMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NOP/c20-18-13-7-8-15(19-18)14-21(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-(diphenylphosphanylmethyl)-1H-pyridin-2-one?
6-(diphenylphosphanylmethyl)-1H-pyridin-2-one has a molecular weight of 293.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diphenylphosphanylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 139050391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).