5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione

• ChemBase ID: 240306
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1C(=O)NC(C1=O)(CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC1(C)NC(=O)NC1=O)C
• InChI: InChI=1S/C10H16N2O2/c1-7(2)5-4-6-10(3)8(13)11-9(14)12-10/h5H,4,6H2,1-3H3,(H2,11,12,13,14)
• InChIKey: DWHPGBUSXZURCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione
• Synonyms: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00548547
• PubChem SID: 164296216
• PubChem CID: 20350415

CALCULATED PROPERTIES

• Acid pKa: 10.197968
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.288969
• LogD (pH = 7.4): 1.2882946
• Log P: 1.2889776
• Molar Refractivity: 53.9789 cm^3
• Polarizability: 20.613222 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.378

Product Information

• Purity: 95%