2,2-diphenylpent-4-enenitrile

C17H15N — CID 10681154

IUPAC2,2-diphenylpent-4-enenitrile
SMILESC=CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13H2
InChIKeyFGMBSKDBJUARKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.07
Rot. Bonds4

About 2,2-diphenylpent-4-enenitrile

2,2-diphenylpent-4-enenitrile (PubChem CID 10681154) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,2-diphenylpent-4-enenitrile.

Molecular Properties

Compound Name2,2-diphenylpent-4-enenitrile
PubChem CID10681154
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2,2-diphenylpent-4-enenitrile
SMILESC=CCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13H2
InChIKeyFGMBSKDBJUARKV-UHFFFAOYSA-N
XLogP4.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
1-phenylbut-3-ene-1,1-diol
CID 134892936
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
4-propylhept-1-en-4-ylbenzene
CID 123221616
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
2,2,5-triphenylpent-4-ynenitrile
CID 10402967
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
2-(diethoxymethyl)-2-phenylpent-4-enenitrile
CID 70433023
2-(3-iodophenyl)-2-methylpent-4-enenitrile
CID 117049281
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
2,2-diphenyloctadecanenitrile
CID 154150395

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylpent-4-enenitrile?
The IUPAC name of 2,2-diphenylpent-4-enenitrile (CID 10681154) is 2,2-diphenylpent-4-enenitrile.
What is the SMILES notation for 2,2-diphenylpent-4-enenitrile?
The canonical SMILES for 2,2-diphenylpent-4-enenitrile is C=CCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylpent-4-enenitrile?
The InChIKey is FGMBSKDBJUARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-2-13-17(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13H2.
What are the key properties of 2,2-diphenylpent-4-enenitrile?
2,2-diphenylpent-4-enenitrile has a molecular weight of 233.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylpent-4-enenitrile is sourced from PubChem (CID 10681154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).