3-[methyl(phenyl)phosphanyl]propanenitrile

C10H12NP — CID 86160293

IUPAC3-[methyl(phenyl)phosphanyl]propanenitrile
SMILESCP(CCC#N)c1ccccc1
InChIInChI=1S/C10H12NP/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3
InChIKeyFVNRJEWCVNCVPI-UHFFFAOYSA-N
MW177.19 g/mol
LogP2.34
Rot. Bonds3

About 3-[methyl(phenyl)phosphanyl]propanenitrile

3-[methyl(phenyl)phosphanyl]propanenitrile (PubChem CID 86160293) has the molecular formula C10H12NP and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-[methyl(phenyl)phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[methyl(phenyl)phosphanyl]propanenitrile
PubChem CID86160293
Molecular FormulaC10H12NP
Molecular Weight177.19 g/mol
Exact Mass177.07
IUPAC Name3-[methyl(phenyl)phosphanyl]propanenitrile
SMILESCP(CCC#N)c1ccccc1
InChIInChI=1S/C10H12NP/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3
InChIKeyFVNRJEWCVNCVPI-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butyl-methyl-phenylphosphane
CID 14832966
(S)-ethyl-methyl-phenylphosphane
CID 10909914
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
1-[2-cyanoethyl(phenyl)phosphanyl]propane-1-sulfonic acid
CID 20520065
acetonitrile;rhodium;tris(diphenylphosphanylmethyl)-phenylboranuide
CID 51050604
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
1,1'-biphenyl;pentanenitrile
CID 161141924
3-[2-cyanoethyl(ethyl)phosphanyl]propanenitrile
CID 57019271
3-diphenylphosphanylpentanenitrile
CID 10956491
pentanenitrile;toluene
CID 158377987

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)phosphanyl]propanenitrile?
The IUPAC name of 3-[methyl(phenyl)phosphanyl]propanenitrile (CID 86160293) is 3-[methyl(phenyl)phosphanyl]propanenitrile.
What is the SMILES notation for 3-[methyl(phenyl)phosphanyl]propanenitrile?
The canonical SMILES for 3-[methyl(phenyl)phosphanyl]propanenitrile is CP(CCC#N)c1ccccc1.
What is the InChIKey of 3-[methyl(phenyl)phosphanyl]propanenitrile?
The InChIKey is FVNRJEWCVNCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NP/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3.
What are the key properties of 3-[methyl(phenyl)phosphanyl]propanenitrile?
3-[methyl(phenyl)phosphanyl]propanenitrile has a molecular weight of 177.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)phosphanyl]propanenitrile is sourced from PubChem (CID 86160293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).