1-(3-aminopropyl)pyrrolidine-2,5-dione

• ChemBase ID: 308558
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: N1(C(=O)CCC1=O)CCCN
• Canonical SMILES: NCCCN1C(=O)CCC1=O
• InChI: InChI=1S/C7H12N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5,8H2
• InChIKey: NDRCCTSDWGOJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-(3-aminopropyl)pyrrolidine-2,5-dione
• Synonyms: 1-(3-aminopropyl)-2,5-pyrrolidinedione

Database IDs

• CAS Number: 54052-99-2
• MDL Number: MFCD00748352

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5153127
• LogD (pH = 7.4): -3.7906408
• Log P: -1.5068196
• Molar Refractivity: 39.9933 cm^3
• Polarizability: 15.7404175 Å^3
• Polar Surface Area: 63.4 Å^2