5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

C8H13NO3 — CID 130878381

IUPAC5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1COCCC12CC(=O)N2
InChIInChI=1S/C8H13NO3/c1-11-6-5-12-3-2-8(6)4-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyMCOOGQNAFYUIMX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.32
Rot. Bonds1

About 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 130878381) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID130878381
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1COCCC12CC(=O)N2
InChIInChI=1S/C8H13NO3/c1-11-6-5-12-3-2-8(6)4-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyMCOOGQNAFYUIMX-UHFFFAOYSA-N
XLogP-0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-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-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 130878381) is 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is COC1COCCC12CC(=O)N2.
What is the InChIKey of 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is MCOOGQNAFYUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-6-5-12-3-2-8(6)4-7(10)9-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 130878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).