8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one

C9H16N2O2 — CID 84769430

IUPAC8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1CCCC2(CCOC(=O)N2)C1
InChIInChI=1S/C9H16N2O2/c1-11-5-2-3-9(7-11)4-6-13-8(12)10-9/h2-7H2,1H3,(H,10,12)
InChIKeyQLMLNVGIYQPESZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds

About 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one

8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 84769430) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID84769430
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1CCCC2(CCOC(=O)N2)C1
InChIInChI=1S/C9H16N2O2/c1-11-5-2-3-9(7-11)4-6-13-8(12)10-9/h2-7H2,1H3,(H,10,12)
InChIKeyQLMLNVGIYQPESZ-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-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 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one (CID 84769430) is 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one is CN1CCCC2(CCOC(=O)N2)C1.
What is the InChIKey of 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is QLMLNVGIYQPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-5-2-3-9(7-11)4-6-13-8(12)10-9/h2-7H2,1H3,(H,10,12).
What are the key properties of 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one?
8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 84769430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).