2-(morpholin-3-yl)cyclopentan-1-one hydrochloride

• ChemBase ID: 249187
• Molecular Formular: C9H16ClNO2
• Molecular Mass: 205.68184
• Monoisotopic Mass: 205.08695644
• SMILES: C1(C(=O)CCC1)C1NCCOC1.Cl
• Canonical SMILES: O=C1CCCC1C1COCCN1.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c11-9-3-1-2-7(9)8-6-12-5-4-10-8;/h7-8,10H,1-6H2;1H
• InChIKey: NHNJRRTWOCABHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)cyclopentan-1-one hydrochloride
• IUPAC Traditional name: 2-(morpholin-3-yl)cyclopentan-1-one hydrochloride
• Synonyms: 2-(morpholin-3-yl)cyclopentan-1-one hydrochloride

Database IDs

• PubChem SID: 164305097
• PubChem CID: 71758685

CALCULATED PROPERTIES

• Acid pKa: 18.20015
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.112497
• LogD (pH = 7.4): -0.38292634
• Log P: 0.47280595
• Molar Refractivity: 45.1724 cm^3
• Polarizability: 18.148947 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.365

Product Information

• Purity: 95%