octahydrocyclopenta[c]pyrrol-4-one

• ChemBase ID: 272719
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: C12C(=O)CCC1CNC2
• Canonical SMILES: O=C1CCC2C1CNC2
• InChI: InChI=1S/C7H11NO/c9-7-2-1-5-3-8-4-6(5)7/h5-6,8H,1-4H2
• InChIKey: VTJCOTZQTGPOSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[c]pyrrol-4-one
• IUPAC Traditional name: hexahydro-1H-cyclopenta[c]pyrrol-4-one
• Synonyms: octahydrocyclopenta[c]pyrrol-4-one

Database IDs

• MDL Number: MFCD09997899
• PubChem SID: 164328629
• PubChem CID: 14988998

CALCULATED PROPERTIES

• Acid pKa: 18.66617
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.159449
• LogD (pH = 7.4): -2.9169815
• Log P: 0.078410596
• Molar Refractivity: 34.5667 cm^3
• Polarizability: 13.764601 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.338

Product Information

• Purity: 95%