3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile

C14H15NO2 — CID 79565439

IUPAC3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCC2CCCC2=O)c1
InChIInChI=1S/C14H15NO2/c15-10-11-3-1-5-13(9-11)17-8-7-12-4-2-6-14(12)16/h1,3,5,9,12H,2,4,6-8H2
InChIKeyJLMCRJDIGBXGHA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.70
Rot. Bonds4

About 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile

3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile (PubChem CID 79565439) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
PubChem CID79565439
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCC2CCCC2=O)c1
InChIInChI=1S/C14H15NO2/c15-10-11-3-1-5-13(9-11)17-8-7-12-4-2-6-14(12)16/h1,3,5,9,12H,2,4,6-8H2
InChIKeyJLMCRJDIGBXGHA-UHFFFAOYSA-N
XLogP2.70
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile 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

3-chloro-4-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79566028
1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
CID 79577774
2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79565850
3-(3-cyclopentyloxypropoxy)benzonitrile
CID 43289282
2-[2-(4-chloro-3-fluorophenoxy)ethyl]cyclopentan-1-one
CID 82707034
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one
CID 79566016
3-[3-[cyclobutyl(2-hydroxyethyl)amino]propoxy]benzonitrile
CID 102676503
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile (CID 79565439) is 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile is N#Cc1cccc(OCCC2CCCC2=O)c1.
What is the InChIKey of 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
The InChIKey is JLMCRJDIGBXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-10-11-3-1-5-13(9-11)17-8-7-12-4-2-6-14(12)16/h1,3,5,9,12H,2,4,6-8H2.
What are the key properties of 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile?
3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile has a molecular weight of 229.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile is sourced from PubChem (CID 79565439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).