9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane

C14H25NO — CID 166791022

IUPAC9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane
SMILESC=CCCCCC1CCCC12NC(C)CO2
InChIInChI=1S/C14H25NO/c1-3-4-5-6-8-13-9-7-10-14(13)15-12(2)11-16-14/h3,12-13,15H,1,4-11H2,2H3
InChIKeyVAXMXCVZWVONGV-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds5

About 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane

9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane (PubChem CID 166791022) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane
PubChem CID166791022
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane
SMILESC=CCCCCC1CCCC12NC(C)CO2
InChIInChI=1S/C14H25NO/c1-3-4-5-6-8-13-9-7-10-14(13)15-12(2)11-16-14/h3,12-13,15H,1,4-11H2,2H3
InChIKeyVAXMXCVZWVONGV-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane 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 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane?
The IUPAC name of 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane (CID 166791022) is 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane.
What is the SMILES notation for 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane?
The canonical SMILES for 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane is C=CCCCCC1CCCC12NC(C)CO2.
What is the InChIKey of 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane?
The InChIKey is VAXMXCVZWVONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-8-13-9-7-10-14(13)15-12(2)11-16-14/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane?
9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane has a molecular weight of 223.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hex-5-enyl-3-methyl-1-oxa-4-azaspiro[4.4]nonane is sourced from PubChem (CID 166791022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).