2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethan-1-one

• ChemBase ID: 245113
• Molecular Formular: C9H14ClNO2
• Molecular Mass: 203.66596
• Monoisotopic Mass: 203.07130637
• SMILES: N1(C(C2CC2)COCC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)N1CCOCC1C1CC1
• InChI: InChI=1S/C9H14ClNO2/c10-5-9(12)11-3-4-13-6-8(11)7-1-2-7/h7-8H,1-6H2
• InChIKey: CVOKSRFENACETI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
• Synonyms: 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethan-1-one

Database IDs

• MDL Number: MFCD23144023
• PubChem SID: 164301023
• PubChem CID: 71757652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5762515
• LogD (pH = 7.4): 0.5762515
• Log P: 0.5762515
• Molar Refractivity: 49.6992 cm^3
• Polarizability: 19.6508 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.673

Product Information

• Purity: 95%