3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile

C14H15NO — CID 13161752

IUPAC3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile
SMILESN#CCCOc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C14H15NO/c15-10-3-11-16-14-8-6-13(7-9-14)12-4-1-2-5-12/h1,4,6-9,12H,2-3,5,11H2
InChIKeyKHZZVOAPJOYGPZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.41
Rot. Bonds4

About 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile

3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile (PubChem CID 13161752) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile.

Molecular Properties

Compound Name3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile
PubChem CID13161752
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile
SMILESN#CCCOc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C14H15NO/c15-10-3-11-16-14-8-6-13(7-9-14)12-4-1-2-5-12/h1,4,6-9,12H,2-3,5,11H2
InChIKeyKHZZVOAPJOYGPZ-UHFFFAOYSA-N
XLogP3.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile?
The IUPAC name of 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile (CID 13161752) is 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile.
What is the SMILES notation for 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile?
The canonical SMILES for 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile is N#CCCOc1ccc(C2C=CCC2)cc1.
What is the InChIKey of 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile?
The InChIKey is KHZZVOAPJOYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-10-3-11-16-14-8-6-13(7-9-14)12-4-1-2-5-12/h1,4,6-9,12H,2-3,5,11H2.
What are the key properties of 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile?
3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile has a molecular weight of 213.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopent-2-en-1-ylphenoxy)propanenitrile is sourced from PubChem (CID 13161752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).