3-diphenylphosphorylpropanenitrile

C15H14NOP — CID 15497682

IUPAC3-diphenylphosphorylpropanenitrile
SMILESN#CCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyZSWPARQZIRQIIK-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.91
Rot. Bonds4

About 3-diphenylphosphorylpropanenitrile

3-diphenylphosphorylpropanenitrile (PubChem CID 15497682) has the molecular formula C15H14NOP and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-diphenylphosphorylpropanenitrile.

Molecular Properties

Compound Name3-diphenylphosphorylpropanenitrile
PubChem CID15497682
Molecular FormulaC15H14NOP
Molecular Weight255.26 g/mol
Exact Mass255.08
IUPAC Name3-diphenylphosphorylpropanenitrile
SMILESN#CCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyZSWPARQZIRQIIK-UHFFFAOYSA-N
XLogP2.91
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.91
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 3-diphenylphosphorylpropanenitrile?
The IUPAC name of 3-diphenylphosphorylpropanenitrile (CID 15497682) is 3-diphenylphosphorylpropanenitrile.
What is the SMILES notation for 3-diphenylphosphorylpropanenitrile?
The canonical SMILES for 3-diphenylphosphorylpropanenitrile is N#CCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylpropanenitrile?
The InChIKey is ZSWPARQZIRQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NOP/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2.
What are the key properties of 3-diphenylphosphorylpropanenitrile?
3-diphenylphosphorylpropanenitrile has a molecular weight of 255.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylpropanenitrile is sourced from PubChem (CID 15497682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).