1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile

C11H17NO — CID 65376596

IUPAC1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CC2CCCO2)CCCC1
InChIInChI=1S/C11H17NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h10H,1-8H2
InChIKeyXUXJJOWDRZWWGM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.64
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile

1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 65376596) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID65376596
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CC2CCCO2)CCCC1
InChIInChI=1S/C11H17NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h10H,1-8H2
InChIKeyXUXJJOWDRZWWGM-UHFFFAOYSA-N
XLogP2.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile 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 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile (CID 65376596) is 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile is N#CC1(CC2CCCO2)CCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is XUXJJOWDRZWWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h10H,1-8H2.
What are the key properties of 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile?
1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 179.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65376596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).