3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene

C9H15NO — CID 20644758

IUPAC3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H15NO/c1-8-7-9(11-10-8)5-3-2-4-6-9/h2-7H2,1H3
InChIKeySXWQCNWGLAHRFE-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.49
Rot. Bonds

About 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene

3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 20644758) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID20644758
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1=NOC2(CCCCC2)C1
InChIInChI=1S/C9H15NO/c1-8-7-9(11-10-8)5-3-2-4-6-9/h2-7H2,1H3
InChIKeySXWQCNWGLAHRFE-UHFFFAOYSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene 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 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 20644758) is 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC1=NOC2(CCCCC2)C1.
What is the InChIKey of 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is SXWQCNWGLAHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-7-9(11-10-8)5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 153.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 20644758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).