6-oxaspiro[3.5]nonane-2-carbonitrile

C9H13NO — CID 56962162

IUPAC6-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1CC2(CCCOC2)C1
InChIInChI=1S/C9H13NO/c10-6-8-4-9(5-8)2-1-3-11-7-9/h8H,1-5,7H2
InChIKeyGFRAPCAJOCCASW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds

About 6-oxaspiro[3.5]nonane-2-carbonitrile

6-oxaspiro[3.5]nonane-2-carbonitrile (PubChem CID 56962162) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-oxaspiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name6-oxaspiro[3.5]nonane-2-carbonitrile
PubChem CID56962162
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1CC2(CCCOC2)C1
InChIInChI=1S/C9H13NO/c10-6-8-4-9(5-8)2-1-3-11-7-9/h8H,1-5,7H2
InChIKeyGFRAPCAJOCCASW-UHFFFAOYSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-oxaspiro[3.5]nonane-2-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 6-oxaspiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 6-oxaspiro[3.5]nonane-2-carbonitrile (CID 56962162) is 6-oxaspiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 6-oxaspiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 6-oxaspiro[3.5]nonane-2-carbonitrile is N#CC1CC2(CCCOC2)C1.
What is the InChIKey of 6-oxaspiro[3.5]nonane-2-carbonitrile?
The InChIKey is GFRAPCAJOCCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-8-4-9(5-8)2-1-3-11-7-9/h8H,1-5,7H2.
What are the key properties of 6-oxaspiro[3.5]nonane-2-carbonitrile?
6-oxaspiro[3.5]nonane-2-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 56962162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).