1-oxaspiro[4.4]non-3-en-9-amine

C8H13NO — CID 146626021

IUPAC1-oxaspiro[4.4]non-3-en-9-amine
SMILESNC1CCCC12C=CCO2
InChIInChI=1S/C8H13NO/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5,7H,1,3-4,6,9H2
InChIKeyDUEYIKUIWVWRFD-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.82
Rot. Bonds

About 1-oxaspiro[4.4]non-3-en-9-amine

1-oxaspiro[4.4]non-3-en-9-amine (PubChem CID 146626021) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-3-en-9-amine.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-3-en-9-amine
PubChem CID146626021
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-oxaspiro[4.4]non-3-en-9-amine
SMILESNC1CCCC12C=CCO2
InChIInChI=1S/C8H13NO/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5,7H,1,3-4,6,9H2
InChIKeyDUEYIKUIWVWRFD-UHFFFAOYSA-N
XLogP0.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-oxaspiro[4.4]non-3-en-9-amine 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-oxaspiro[4.4]non-3-en-9-amine?
The IUPAC name of 1-oxaspiro[4.4]non-3-en-9-amine (CID 146626021) is 1-oxaspiro[4.4]non-3-en-9-amine.
What is the SMILES notation for 1-oxaspiro[4.4]non-3-en-9-amine?
The canonical SMILES for 1-oxaspiro[4.4]non-3-en-9-amine is NC1CCCC12C=CCO2.
What is the InChIKey of 1-oxaspiro[4.4]non-3-en-9-amine?
The InChIKey is DUEYIKUIWVWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-7-3-1-4-8(7)5-2-6-10-8/h2,5,7H,1,3-4,6,9H2.
What are the key properties of 1-oxaspiro[4.4]non-3-en-9-amine?
1-oxaspiro[4.4]non-3-en-9-amine has a molecular weight of 139.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]non-3-en-9-amine is sourced from PubChem (CID 146626021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).