1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 103726
• Molecular Formular: C12H18N2O3
• Molecular Mass: 238.28292
• Monoisotopic Mass: 238.13174245
• SMILES: CC1(C)CC(N2C(=O)C=CC2=O)C(C)(C)N1O
• Canonical SMILES: ON1C(C)(C)CC(C1(C)C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C12H18N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8,17H,7H2,1-4H3
• InChIKey: NSNRDGGMJSRUMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyrrole-2,5-dione
• Synonyms: 3-(MALEIMIDO)-PROXYL

Database IDs

• CAS Number: 5389-27-5
• PubChem SID: 162090878
• PubChem CID: 3989306

CALCULATED PROPERTIES

• Acid pKa: 14.732259
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18394317
• LogD (pH = 7.4): 0.18402614
• Log P: 0.18402722
• Molar Refractivity: 63.417698 cm^3
• Polarizability: 24.592838 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C