3-(dimethylamino)pyrrolidine-2,5-dione

• ChemBase ID: 269173
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: C1(=O)NC(=O)CC1N(C)C
• Canonical SMILES: CN(C1CC(=O)NC1=O)C
• InChI: InChI=1S/C6H10N2O2/c1-8(2)4-3-5(9)7-6(4)10/h4H,3H2,1-2H3,(H,7,9,10)
• InChIKey: ZKKFKXJEWLLXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(dimethylamino)pyrrolidine-2,5-dione
• Synonyms: 3-(dimethylamino)pyrrolidine-2,5-dione

Database IDs

• MDL Number: MFCD16817513
• PubChem SID: 164325083
• PubChem CID: 12550570

CALCULATED PROPERTIES

• Acid pKa: 9.6999445
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8389587
• LogD (pH = 7.4): -1.2773517
• Log P: -0.9998835
• Molar Refractivity: 35.3464 cm^3
• Polarizability: 13.913425 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.036

Product Information

• Purity: 95%