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

• ChemBase ID: 266436
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: N1C(=O)C(CC1=O)NCC
• Canonical SMILES: CCNC1CC(=O)NC1=O
• InChI: InChI=1S/C6H10N2O2/c1-2-7-4-3-5(9)8-6(4)10/h4,7H,2-3H2,1H3,(H,8,9,10)
• InChIKey: XLNDPYUHSNCDIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12099318
• PubChem SID: 164322346
• PubChem CID: 43637675

CALCULATED PROPERTIES

• Acid pKa: 9.784388
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8500438
• LogD (pH = 7.4): -2.192481
• Log P: -1.2720059
• Molar Refractivity: 34.8003 cm^3
• Polarizability: 13.913425 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.092

Product Information

• Purity: 95%