1,3,4-trimethylimidazolidin-2-one

• ChemBase ID: 180008
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1(C(=O)N(C)C(C1)C)C
• Canonical SMILES: CN1CC(N(C1=O)C)C
• InChI: InChI=1S/C6H12N2O/c1-5-4-7(2)6(9)8(5)3/h5H,4H2,1-3H3
• InChIKey: JJNFHWKVZWAKEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,4-trimethylimidazolidin-2-one
• IUPAC Traditional name: 1,3,4-trimethylimidazolidin-2-one
• Synonyms: DMPU; N,N'-Dimethylpropyleneurea

Database IDs

• CAS Number: 7226-23-5
• PubChem SID: 164235918
• PubChem CID: 10313143

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.22407953
• LogD (pH = 7.4): -0.22407952
• Log P: -0.22407952
• Molar Refractivity: 35.1792 cm^3
• Polarizability: 13.415068 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true