1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one

• ChemBase ID: 58719
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: N1(C(=O)CCC1)CCN1C(=O)CCC1
• Canonical SMILES: O=C1CCCN1CCN1CCCC1=O
• InChI: InChI=1S/C10H16N2O2/c13-9-3-1-5-11(9)7-8-12-6-2-4-10(12)14/h1-8H2
• InChIKey: AZAMPMUEKXNYFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
• Synonyms: 1,1'-Ethane-1,2-diyldipyrrolidin-2-one

Database IDs

• MDL Number: MFCD02167795
• PubChem SID: 162063482
• PubChem CID: 13710692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8833918
• LogD (pH = 7.4): -0.88339144
• Log P: -0.8833914
• Molar Refractivity: 52.3402 cm^3
• Polarizability: 20.1432 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false