5-(4-benzoylphenyl)pentanenitrile

C18H17NO — CID 46197508

IUPAC5-(4-benzoylphenyl)pentanenitrile
SMILESN#CCCCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c19-14-6-2-3-7-15-10-12-17(13-11-15)18(20)16-8-4-1-5-9-16/h1,4-5,8-13H,2-3,6-7H2
InChIKeyVKNWUZUCBCTAIA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.15
Rot. Bonds6

About 5-(4-benzoylphenyl)pentanenitrile

5-(4-benzoylphenyl)pentanenitrile (PubChem CID 46197508) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(4-benzoylphenyl)pentanenitrile.

Molecular Properties

Compound Name5-(4-benzoylphenyl)pentanenitrile
PubChem CID46197508
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name5-(4-benzoylphenyl)pentanenitrile
SMILESN#CCCCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c19-14-6-2-3-7-15-10-12-17(13-11-15)18(20)16-8-4-1-5-9-16/h1,4-5,8-13H,2-3,6-7H2
InChIKeyVKNWUZUCBCTAIA-UHFFFAOYSA-N
XLogP4.15
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-benzoylphenyl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-cyanobutyl)benzoic acid
CID 134098566
2-(4-benzoylphenyl)acetonitrile
CID 12827846
7-[4-(6-cyanohexyl)phenyl]heptanenitrile
CID 90482540
6-oxo-9-phenylnonanenitrile
CID 12034522
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
2-[5-(4-benzoylphenyl)pentoxy]-1,3-diphenylpropane-1,3-dione
CID 175330596
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
4-(2-cyanoethyl)benzoic acid
CID 19879196
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
5-(4-aminophenyl)pentanenitrile
CID 13350835
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
(E)-but-2-enedioic acid;[4-[6-(dimethylamino)hexyl]phenyl]-phenylmethanone
CID 19883668

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylphenyl)pentanenitrile?
The IUPAC name of 5-(4-benzoylphenyl)pentanenitrile (CID 46197508) is 5-(4-benzoylphenyl)pentanenitrile.
What is the SMILES notation for 5-(4-benzoylphenyl)pentanenitrile?
The canonical SMILES for 5-(4-benzoylphenyl)pentanenitrile is N#CCCCCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 5-(4-benzoylphenyl)pentanenitrile?
The InChIKey is VKNWUZUCBCTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c19-14-6-2-3-7-15-10-12-17(13-11-15)18(20)16-8-4-1-5-9-16/h1,4-5,8-13H,2-3,6-7H2.
What are the key properties of 5-(4-benzoylphenyl)pentanenitrile?
5-(4-benzoylphenyl)pentanenitrile has a molecular weight of 263.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylphenyl)pentanenitrile is sourced from PubChem (CID 46197508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).