1-diphenylphosphanylcyclopropane-1-carbonitrile

C16H14NP — CID 11433894

IUPAC1-diphenylphosphanylcyclopropane-1-carbonitrile
SMILESN#CC1(P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C16H14NP/c17-13-16(11-12-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyARLSGFFPOZTIBM-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.18
Rot. Bonds3

About 1-diphenylphosphanylcyclopropane-1-carbonitrile

1-diphenylphosphanylcyclopropane-1-carbonitrile (PubChem CID 11433894) has the molecular formula C16H14NP and a molecular weight of 251.27 g/mol. Its IUPAC name is 1-diphenylphosphanylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-diphenylphosphanylcyclopropane-1-carbonitrile
PubChem CID11433894
Molecular FormulaC16H14NP
Molecular Weight251.27 g/mol
Exact Mass251.09
IUPAC Name1-diphenylphosphanylcyclopropane-1-carbonitrile
SMILESN#CC1(P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C16H14NP/c17-13-16(11-12-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyARLSGFFPOZTIBM-UHFFFAOYSA-N
XLogP3.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 1-diphenylphosphanylcyclopropane-1-carbonitrile?
The IUPAC name of 1-diphenylphosphanylcyclopropane-1-carbonitrile (CID 11433894) is 1-diphenylphosphanylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-diphenylphosphanylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-diphenylphosphanylcyclopropane-1-carbonitrile is N#CC1(P(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-diphenylphosphanylcyclopropane-1-carbonitrile?
The InChIKey is ARLSGFFPOZTIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NP/c17-13-16(11-12-16)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-diphenylphosphanylcyclopropane-1-carbonitrile?
1-diphenylphosphanylcyclopropane-1-carbonitrile has a molecular weight of 251.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylcyclopropane-1-carbonitrile is sourced from PubChem (CID 11433894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).