5-cyclopentylmorpholin-3-one

• ChemBase ID: 801630
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: C1(=O)COCC(N1)C1CCCC1
• Canonical SMILES: O=C1COCC(N1)C1CCCC1
• InChI: InChI=1S/C9H15NO2/c11-9-6-12-5-8(10-9)7-3-1-2-4-7/h7-8H,1-6H2,(H,10,11)
• InChIKey: YLXKWLNFLHIVAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopentylmorpholin-3-one
• IUPAC Traditional name: 5-cyclopentylmorpholin-3-one
• Synonyms: 5-CYCLOPENTYLMORPHOLIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 12.651473
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5772229
• LogD (pH = 7.4): 0.5772208
• Log P: 0.57722294
• Molar Refractivity: 44.6612 cm^3
• Polarizability: 17.768986 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%