2-(2-oxopyrrolidin-1-yl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide

• ChemBase ID: 127197
• Molecular Formular: C12H18N4O4
• Molecular Mass: 282.29572
• Monoisotopic Mass: 282.13280508
• SMILES: C1CC(=O)N(C1)CC(=O)NNC(=O)CN1CCCC1=O
• Canonical SMILES: O=C(CN1CCCC1=O)NNC(=O)CN1CCCC1=O
• InChI: InChI=1S/C12H18N4O4/c17-9(7-15-5-1-3-11(15)19)13-14-10(18)8-16-6-2-4-12(16)20/h1-8H2,(H,13,17)(H,14,18)
• InChIKey: YPUPYVWSTBYCBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxopyrrolidin-1-yl)-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]acetohydrazide
• IUPAC Traditional name: dupracetam
• Synonyms: Dupracetam

Database IDs

• CAS Number: 59776-90-8
• PubChem SID: 162221519
• PubChem CID: 68793
• Chemspider ID: 62033
• Unique Ingredient Identifier: BVM2UGN450
• Wikipedia Title: Dupracetam

CALCULATED PROPERTIES

• Acid pKa: 9.94689
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.9289598
• LogD (pH = 7.4): -2.9300365
• Log P: -2.928946
• Molar Refractivity: 68.5228 cm^3
• Polarizability: 26.392843 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Unscheduled