2-(2-chlorophenyl)-3-oxononanenitrile

C15H18ClNO — CID 70593681

IUPAC2-(2-chlorophenyl)-3-oxononanenitrile
SMILESCCCCCCC(=O)C(C#N)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-10-15(18)13(11-17)12-8-6-7-9-14(12)16/h6-9,13H,2-5,10H2,1H3
InChIKeyAQTASGRHTQPJHE-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.49
Rot. Bonds7

About 2-(2-chlorophenyl)-3-oxononanenitrile

2-(2-chlorophenyl)-3-oxononanenitrile (PubChem CID 70593681) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-oxononanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-oxononanenitrile
PubChem CID70593681
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-chlorophenyl)-3-oxononanenitrile
SMILESCCCCCCC(=O)C(C#N)c1ccccc1Cl
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-10-15(18)13(11-17)12-8-6-7-9-14(12)16/h6-9,13H,2-5,10H2,1H3
InChIKeyAQTASGRHTQPJHE-UHFFFAOYSA-N
XLogP4.49
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-3-oxononanenitrile 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

2-(2-methylphenyl)-3-oxononanenitrile
CID 114752854
2-(2-methoxyphenyl)-3-oxoundecanenitrile
CID 65426340
2-(2-fluorophenyl)-3-oxooctanenitrile
CID 54977906
2-(5-chloro-2-methoxyphenyl)-3-oxononanenitrile
CID 114752863
2-(3,4-dichlorophenyl)-3-oxoundecanenitrile
CID 65427682
2-(2,4-difluorophenyl)-3-oxononanenitrile
CID 114752877
2-(2-chlorophenyl)-5-(4-methylphenyl)-3-oxopentanenitrile
CID 62503456
2-(4-methylphenyl)-3-oxododecanenitrile
CID 65428253
2-(4-hydroxyphenyl)-3-oxodecanenitrile
CID 139608624
2-(2-chloro-4-fluorophenyl)-3-oxohexanenitrile
CID 63038645
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-oxononanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-oxononanenitrile (CID 70593681) is 2-(2-chlorophenyl)-3-oxononanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-oxononanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-oxononanenitrile is CCCCCCC(=O)C(C#N)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-oxononanenitrile?
The InChIKey is AQTASGRHTQPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-3-4-5-10-15(18)13(11-17)12-8-6-7-9-14(12)16/h6-9,13H,2-5,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-oxononanenitrile?
2-(2-chlorophenyl)-3-oxononanenitrile has a molecular weight of 263.77 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-oxononanenitrile is sourced from PubChem (CID 70593681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).