2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile

C14H23NO2 — CID 115001962

IUPAC2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1OCC1CCOCC1
InChIInChI=1S/C14H23NO2/c15-10-13-4-2-1-3-5-14(13)17-11-12-6-8-16-9-7-12/h12-14H,1-9,11H2
InChIKeyUERSSEOFCOPYRW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds3

About 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile

2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile (PubChem CID 115001962) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
PubChem CID115001962
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1OCC1CCOCC1
InChIInChI=1S/C14H23NO2/c15-10-13-4-2-1-3-5-14(13)17-11-12-6-8-16-9-7-12/h12-14H,1-9,11H2
InChIKeyUERSSEOFCOPYRW-UHFFFAOYSA-N
XLogP2.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-ylmethoxy)cycloheptane-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 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile (CID 115001962) is 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile is N#CC1CCCCCC1OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile?
The InChIKey is UERSSEOFCOPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-10-13-4-2-1-3-5-14(13)17-11-12-6-8-16-9-7-12/h12-14H,1-9,11H2.
What are the key properties of 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile?
2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile has a molecular weight of 237.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)cycloheptane-1-carbonitrile is sourced from PubChem (CID 115001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).