5,5-dicyclopropylimidazolidine-2,4-dione

• ChemBase ID: 267746
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C1(=O)NC(=O)NC1(C1CC1)C1CC1
• Canonical SMILES: O=C1NC(=O)NC1(C1CC1)C1CC1
• InChI: InChI=1S/C9H12N2O2/c12-7-9(5-1-2-5,6-3-4-6)11-8(13)10-7/h5-6H,1-4H2,(H2,10,11,12,13)
• InChIKey: ACISZUHKKBVJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dicyclopropylimidazolidine-2,4-dione
• IUPAC Traditional name: 5,5-dicyclopropylimidazolidine-2,4-dione
• Synonyms: 5,5-dicyclopropylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00039677
• PubChem SID: 164323656
• PubChem CID: 232553

CALCULATED PROPERTIES

• Acid pKa: 10.172201
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.39883918
• LogD (pH = 7.4): 0.39812347
• Log P: 0.3988483
• Molar Refractivity: 44.6401 cm^3
• Polarizability: 17.602789 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.055

Product Information

• Purity: 95%