1-diphenylphosphorylcyclopentane-1-carbonitrile

C18H18NOP — CID 2430923

IUPAC1-diphenylphosphorylcyclopentane-1-carbonitrile
SMILESN#CC1(P(=O)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C18H18NOP/c19-15-18(13-7-8-14-18)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2
InChIKeyFNLYMDZFLWIJQD-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.84
Rot. Bonds3

About 1-diphenylphosphorylcyclopentane-1-carbonitrile

1-diphenylphosphorylcyclopentane-1-carbonitrile (PubChem CID 2430923) has the molecular formula C18H18NOP and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-diphenylphosphorylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-diphenylphosphorylcyclopentane-1-carbonitrile
PubChem CID2430923
Molecular FormulaC18H18NOP
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name1-diphenylphosphorylcyclopentane-1-carbonitrile
SMILESN#CC1(P(=O)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C18H18NOP/c19-15-18(13-7-8-14-18)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2
InChIKeyFNLYMDZFLWIJQD-UHFFFAOYSA-N
XLogP3.84
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.84
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-(Diphenylphosphoryl)cyclopropanecarbonitrile
CID 660083
2-(Diphenyl-phosphinothioyl)-2-ethyl-butyronitrile
CID 1927851
3-(Diphenylphosphoryl)propanenitrile
CID 15497682
4-(Diphenylphosphoryl)benzonitrile
CID 23631656
1-Diphenylphosphinothioylcyclopentane-1-carbonitrile
CID 674363
(E)-6-diphenylphosphorylhex-5-enenitrile
CID 12095342
5-Diphenylphosphorylhex-5-enenitrile
CID 23636326
C21H12N3OP
CID 21297071
Dibenzyl(2 cyanoethyl)phosphine oxide
CID 23420119
2-Diphenylphosphoryl-4,4-dimethylpentanenitrile
CID 53247752
4-Diphenylphosphorylbutanenitrile
CID 85867804
Dibutyl(diphenylthiophosphoryl)acetonitrile
CID 100954806

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylcyclopentane-1-carbonitrile?
The IUPAC name of 1-diphenylphosphorylcyclopentane-1-carbonitrile (CID 2430923) is 1-diphenylphosphorylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-diphenylphosphorylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-diphenylphosphorylcyclopentane-1-carbonitrile is N#CC1(P(=O)(c2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of 1-diphenylphosphorylcyclopentane-1-carbonitrile?
The InChIKey is FNLYMDZFLWIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NOP/c19-15-18(13-7-8-14-18)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 1-diphenylphosphorylcyclopentane-1-carbonitrile?
1-diphenylphosphorylcyclopentane-1-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylcyclopentane-1-carbonitrile is sourced from PubChem (CID 2430923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).