1-(2-aminoethyl)pyrrolidine-2,5-dione

• ChemBase ID: 308917
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: N1(C(=O)CCC1=O)CCN
• Canonical SMILES: NCCN1C(=O)CCC1=O
• InChI: InChI=1S/C6H10N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-4,7H2
• InChIKey: SHYMHDDMXRVUFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25660-19-9
• MDL Number: MFCD06213343

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5040345
• LogD (pH = 7.4): -3.2929854
• Log P: -1.5667793
• Molar Refractivity: 35.1279 cm^3
• Polarizability: 13.913425 Å^3
• Polar Surface Area: 63.4 Å^2