1-diphenylphosphorylcyclopropane-1-carbonitrile

C16H14NOP — CID 660083

IUPAC1-diphenylphosphorylcyclopropane-1-carbonitrile
SMILESN#CC1(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C16H14NOP/c17-13-16(11-12-16)19(18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyVNUFCYOYGTWYIQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.06
Rot. Bonds3

About 1-diphenylphosphorylcyclopropane-1-carbonitrile

1-diphenylphosphorylcyclopropane-1-carbonitrile (PubChem CID 660083) has the molecular formula C16H14NOP and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-diphenylphosphorylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-diphenylphosphorylcyclopropane-1-carbonitrile
PubChem CID660083
Molecular FormulaC16H14NOP
Molecular Weight267.27 g/mol
Exact Mass267.08
IUPAC Name1-diphenylphosphorylcyclopropane-1-carbonitrile
SMILESN#CC1(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C16H14NOP/c17-13-16(11-12-16)19(18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyVNUFCYOYGTWYIQ-UHFFFAOYSA-N
XLogP3.06
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Diphenylphosphorylcyclopentane-1-carbonitrile
CID 2430923
2-(Diphenyl-phosphinothioyl)-2-ethyl-butyronitrile
CID 1927851
(Diphenyl-phosphinoyl)-acetonitrile
CID 1542448
3-Diphenylphosphinothioylpropanenitrile
CID 413321
Diphenylphosphinic cyanide
CID 12758642
3-(Diphenylphosphoryl)propanenitrile
CID 15497682
(E)-6-diphenylphosphorylhex-5-enenitrile
CID 12095342
5-Diphenylphosphorylhex-5-enenitrile
CID 23636326
2-Cyanoethyldiphenylphosphine
CID 4683193
(1-Diphenylphosphino)cyclopropanecarbonitrile
CID 11433894
2-Diphenylphosphoryl-4,4-dimethylpentanenitrile
CID 53247752
4-Diphenylphosphorylbutanenitrile
CID 85867804

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylcyclopropane-1-carbonitrile?
The IUPAC name of 1-diphenylphosphorylcyclopropane-1-carbonitrile (CID 660083) is 1-diphenylphosphorylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-diphenylphosphorylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-diphenylphosphorylcyclopropane-1-carbonitrile is N#CC1(P(=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-diphenylphosphorylcyclopropane-1-carbonitrile?
The InChIKey is VNUFCYOYGTWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NOP/c17-13-16(11-12-16)19(18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2.
What are the key properties of 1-diphenylphosphorylcyclopropane-1-carbonitrile?
1-diphenylphosphorylcyclopropane-1-carbonitrile has a molecular weight of 267.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylcyclopropane-1-carbonitrile is sourced from PubChem (CID 660083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).