8-(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 269595
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: N1C(=O)NC2(C1=O)CCC(CC2)C(C)C
• Canonical SMILES: CC(C1CCC2(CC1)NC(=O)NC2=O)C
• InChI: InChI=1S/C11H18N2O2/c1-7(2)8-3-5-11(6-4-8)9(14)12-10(15)13-11/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
• InChIKey: YGYGYMNTXAXUDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-isopropyl-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(propan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD16853094
• PubChem SID: 164325505
• PubChem CID: 50986553

CALCULATED PROPERTIES

• Acid pKa: 10.193155
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5957954
• LogD (pH = 7.4): 1.5951134
• Log P: 1.5958041
• Molar Refractivity: 55.7983 cm^3
• Polarizability: 21.975462 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Hydrophobicity(logP): 1.747

Product Information

• Purity: 95%