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

• ChemBase ID: 266438
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: N1C(=O)C(CC1=O)NC1CC1
• Canonical SMILES: O=C1NC(=O)CC1NC1CC1
• InChI: InChI=1S/C7H10N2O2/c10-6-3-5(7(11)9-6)8-4-1-2-4/h4-5,8H,1-3H2,(H,9,10,11)
• InChIKey: VGBHFAYAICHQGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12099312
• PubChem SID: 164322348
• PubChem CID: 43637670

CALCULATED PROPERTIES

• Acid pKa: 9.740226
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.517495
• LogD (pH = 7.4): -1.7959157
• Log P: -1.0840241
• Molar Refractivity: 37.2629 cm^3
• Polarizability: 15.029649 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.037

Product Information

• Purity: 95%