9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione

C12H19NO2 — CID 64746674

IUPAC9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC(=O)NC(=O)C2)CC1C
InChIInChI=1S/C12H19NO2/c1-8-3-4-12(5-9(8)2)6-10(14)13-11(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyNISBUSMFKMBZSY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds

About 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione

9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 64746674) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID64746674
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC(=O)NC(=O)C2)CC1C
InChIInChI=1S/C12H19NO2/c1-8-3-4-12(5-9(8)2)6-10(14)13-11(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyNISBUSMFKMBZSY-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione 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 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione (CID 64746674) is 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione is CC1CCC2(CC(=O)NC(=O)C2)CC1C.
What is the InChIKey of 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is NISBUSMFKMBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-3-4-12(5-9(8)2)6-10(14)13-11(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione?
9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 209.29 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 64746674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).