5-azaspiro[3.5]nonan-8-one

C8H13NO — CID 55300241

IUPAC5-azaspiro[3.5]nonan-8-one
SMILESO=C1CCNC2(CCC2)C1
InChIInChI=1S/C8H13NO/c10-7-2-5-9-8(6-7)3-1-4-8/h9H,1-6H2
InChIKeyTURGHONWVPUISN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds

About 5-azaspiro[3.5]nonan-8-one

5-azaspiro[3.5]nonan-8-one (PubChem CID 55300241) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-azaspiro[3.5]nonan-8-one.

Molecular Properties

Compound Name5-azaspiro[3.5]nonan-8-one
PubChem CID55300241
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-azaspiro[3.5]nonan-8-one
SMILESO=C1CCNC2(CCC2)C1
InChIInChI=1S/C8H13NO/c10-7-2-5-9-8(6-7)3-1-4-8/h9H,1-6H2
InChIKeyTURGHONWVPUISN-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-azaspiro[3.5]nonan-8-one 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 5-azaspiro[3.5]nonan-8-one?
The IUPAC name of 5-azaspiro[3.5]nonan-8-one (CID 55300241) is 5-azaspiro[3.5]nonan-8-one.
What is the SMILES notation for 5-azaspiro[3.5]nonan-8-one?
The canonical SMILES for 5-azaspiro[3.5]nonan-8-one is O=C1CCNC2(CCC2)C1.
What is the InChIKey of 5-azaspiro[3.5]nonan-8-one?
The InChIKey is TURGHONWVPUISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-2-5-9-8(6-7)3-1-4-8/h9H,1-6H2.
What are the key properties of 5-azaspiro[3.5]nonan-8-one?
5-azaspiro[3.5]nonan-8-one has a molecular weight of 139.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[3.5]nonan-8-one is sourced from PubChem (CID 55300241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).