6-oxo-9-phenylnonanenitrile

C15H19NO — CID 12034522

IUPAC6-oxo-9-phenylnonanenitrile
SMILESN#CCCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C15H19NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-12H2
InChIKeyXXAPXHQFUCNDOQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.66
Rot. Bonds8

About 6-oxo-9-phenylnonanenitrile

6-oxo-9-phenylnonanenitrile (PubChem CID 12034522) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-oxo-9-phenylnonanenitrile.

Molecular Properties

Compound Name6-oxo-9-phenylnonanenitrile
PubChem CID12034522
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-oxo-9-phenylnonanenitrile
SMILESN#CCCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C15H19NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-12H2
InChIKeyXXAPXHQFUCNDOQ-UHFFFAOYSA-N
XLogP3.66
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-oxo-9-phenylnonanenitrile 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

1,9-diphenylnonan-5-one
CID 23467830
1-phenyloct-7-yn-4-one
CID 105100787
8-amino-1-phenyloctan-4-one
CID 116571907
5-(4-benzoylphenyl)pentanenitrile
CID 46197508
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
4-(4-cyanobutyl)benzoic acid
CID 134098566
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
7-chloro-1-phenylheptan-3-one
CID 57471587
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571

Frequently Asked Questions

What is the IUPAC name of 6-oxo-9-phenylnonanenitrile?
The IUPAC name of 6-oxo-9-phenylnonanenitrile (CID 12034522) is 6-oxo-9-phenylnonanenitrile.
What is the SMILES notation for 6-oxo-9-phenylnonanenitrile?
The canonical SMILES for 6-oxo-9-phenylnonanenitrile is N#CCCCCC(=O)CCCc1ccccc1.
What is the InChIKey of 6-oxo-9-phenylnonanenitrile?
The InChIKey is XXAPXHQFUCNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-12H2.
What are the key properties of 6-oxo-9-phenylnonanenitrile?
6-oxo-9-phenylnonanenitrile has a molecular weight of 229.32 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-9-phenylnonanenitrile is sourced from PubChem (CID 12034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).