3,9-diazaspiro[5.5]undecane-2,4-dione

• ChemBase ID: 309144
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: N1C(=O)CC2(CC1=O)CCNCC2
• Canonical SMILES: O=C1NC(=O)CC2(C1)CCNCC2
• InChI: InChI=1S/C9H14N2O2/c12-7-5-9(6-8(13)11-7)1-3-10-4-2-9/h10H,1-6H2,(H,11,12,13)
• InChIKey: ASZZHBXPMOVHCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,9-diazaspiro[5.5]undecane-2,4-dione
• IUPAC Traditional name: 3,9-diazaspiro[5.5]undecane-2,4-dione
• Synonyms: 3,9-diazaspiro[5.5]undecane-2,4-dione

Database IDs

• CAS Number: 24910-11-0
• MDL Number: MFCD07364494

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.321863
• LogD (pH = 7.4): -3.635713
• Log P: -1.2094507
• Molar Refractivity: 47.1363 cm^3
• Polarizability: 18.687004 Å^3
• Polar Surface Area: 58.2 Å^2