2-phenyl-2-phosphanylacetonitrile

C8H8NP — CID 174529677

IUPAC2-phenyl-2-phosphanylacetonitrile
SMILESN#CC(P)c1ccccc1
InChIInChI=1S/C8H8NP/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2
InChIKeyYPBHCOSCAZBSKF-UHFFFAOYSA-N
MW149.13 g/mol
LogP2.13
Rot. Bonds1

About 2-phenyl-2-phosphanylacetonitrile

2-phenyl-2-phosphanylacetonitrile (PubChem CID 174529677) has the molecular formula C8H8NP and a molecular weight of 149.13 g/mol. Its IUPAC name is 2-phenyl-2-phosphanylacetonitrile.

Molecular Properties

Compound Name2-phenyl-2-phosphanylacetonitrile
PubChem CID174529677
Molecular FormulaC8H8NP
Molecular Weight149.13 g/mol
Exact Mass149.04
IUPAC Name2-phenyl-2-phosphanylacetonitrile
SMILESN#CC(P)c1ccccc1
InChIInChI=1S/C8H8NP/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2
InChIKeyYPBHCOSCAZBSKF-UHFFFAOYSA-N
XLogP2.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 52.13
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

(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467
(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanenitrile
CID 23234191
ethane;2-phenylpropanenitrile
CID 91366777
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
2,4-dimethyl-3-phenylpentanedinitrile
CID 19049764
sodium;2-chloro-2-phenylacetonitrile;hydride
CID 174617454
[cyano(phenyl)methyl]-trimethylazanium
CID 11108915
[(1R,2R)-1,2-dicyano-2-phenylethyl] thiocyanate
CID 42107662
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(2R)-2-cyano-2-phenylacetic acid
CID 6999087

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phosphanylacetonitrile?
The IUPAC name of 2-phenyl-2-phosphanylacetonitrile (CID 174529677) is 2-phenyl-2-phosphanylacetonitrile.
What is the SMILES notation for 2-phenyl-2-phosphanylacetonitrile?
The canonical SMILES for 2-phenyl-2-phosphanylacetonitrile is N#CC(P)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phosphanylacetonitrile?
The InChIKey is YPBHCOSCAZBSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NP/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2.
What are the key properties of 2-phenyl-2-phosphanylacetonitrile?
2-phenyl-2-phosphanylacetonitrile has a molecular weight of 149.13 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phosphanylacetonitrile is sourced from PubChem (CID 174529677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).