4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one

C10H18N2O2 — CID 135201265

IUPAC4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)COC(=O)N(C)C2
InChIInChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)7-12(2)9(13)14-8-10/h3-8H2,1-2H3
InChIKeyQYGYEQPTBPSOSJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.78
Rot. Bonds

About 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135201265) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135201265
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)COC(=O)N(C)C2
InChIInChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)7-12(2)9(13)14-8-10/h3-8H2,1-2H3
InChIKeyQYGYEQPTBPSOSJ-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-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 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135201265) is 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CCC2(CC1)COC(=O)N(C)C2.
What is the InChIKey of 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QYGYEQPTBPSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)7-12(2)9(13)14-8-10/h3-8H2,1-2H3.
What are the key properties of 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135201265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).