3-aminocyclopentan-1-one

• ChemBase ID: 796659
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C1(=O)CC(CC1)N
• Canonical SMILES: NC1CCC(=O)C1
• InChI: InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h4H,1-3,6H2
• InChIKey: LARUMXKMTDSSSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclopentan-1-one
• IUPAC Traditional name: 3-aminocyclopentan-1-one
• Synonyms: 3-Aminocyclopentanone

Database IDs

• CAS Number: 1228748-71-7

CALCULATED PROPERTIES

• Acid pKa: 18.30184
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.308795
• LogD (pH = 7.4): -2.6812792
• Log P: -0.29406726
• Molar Refractivity: 26.8194 cm^3
• Polarizability: 10.811152 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%