9-methyl-1,9-diazaspiro[5.5]undecan-4-one

C10H18N2O — CID 82407631

IUPAC9-methyl-1,9-diazaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)CC(=O)CCN2
InChIInChI=1S/C10H18N2O/c1-12-6-3-10(4-7-12)8-9(13)2-5-11-10/h11H,2-8H2,1H3
InChIKeyICCQJFDRRBVKCI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.40
Rot. Bonds

About 9-methyl-1,9-diazaspiro[5.5]undecan-4-one

9-methyl-1,9-diazaspiro[5.5]undecan-4-one (PubChem CID 82407631) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 9-methyl-1,9-diazaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name9-methyl-1,9-diazaspiro[5.5]undecan-4-one
PubChem CID82407631
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name9-methyl-1,9-diazaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)CC(=O)CCN2
InChIInChI=1S/C10H18N2O/c1-12-6-3-10(4-7-12)8-9(13)2-5-11-10/h11H,2-8H2,1H3
InChIKeyICCQJFDRRBVKCI-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-1,9-diazaspiro[5.5]undecan-4-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 9-methyl-1,9-diazaspiro[5.5]undecan-4-one?
The IUPAC name of 9-methyl-1,9-diazaspiro[5.5]undecan-4-one (CID 82407631) is 9-methyl-1,9-diazaspiro[5.5]undecan-4-one.
What is the SMILES notation for 9-methyl-1,9-diazaspiro[5.5]undecan-4-one?
The canonical SMILES for 9-methyl-1,9-diazaspiro[5.5]undecan-4-one is CN1CCC2(CC1)CC(=O)CCN2.
What is the InChIKey of 9-methyl-1,9-diazaspiro[5.5]undecan-4-one?
The InChIKey is ICCQJFDRRBVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-6-3-10(4-7-12)8-9(13)2-5-11-10/h11H,2-8H2,1H3.
What are the key properties of 9-methyl-1,9-diazaspiro[5.5]undecan-4-one?
9-methyl-1,9-diazaspiro[5.5]undecan-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,9-diazaspiro[5.5]undecan-4-one is sourced from PubChem (CID 82407631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).