1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 310056
• Molecular Formular: C9H15N3O2
• Molecular Mass: 197.2343
• Monoisotopic Mass: 197.11642674
• SMILES: N1(C(=O)N(C2(C1=O)CCNCC2)C)C
• Canonical SMILES: CN1C(=O)N(C(=O)C21CCNCC2)C
• InChI: InChI=1S/C9H15N3O2/c1-11-7(13)9(12(2)8(11)14)3-5-10-6-4-9/h10H,3-6H2,1-2H3
• InChIKey: OYRDVMVXXOKKJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD04107711

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.350279
• LogD (pH = 7.4): -3.6525686
• Log P: -1.130963
• Molar Refractivity: 51.0357 cm^3
• Polarizability: 19.84267 Å^3
• Polar Surface Area: 52.65 Å^2