2-chloro-N-(cyclohex-1-en-1-yl)-N-cyclopropylacetamide

• ChemBase ID: 248063
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: N(C1CC1)(C(=O)CCl)C1=CCCCC1
• Canonical SMILES: ClCC(=O)N(C1=CCCCC1)C1CC1
• InChI: InChI=1S/C11H16ClNO/c12-8-11(14)13(10-6-7-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2
• InChIKey: FQGQJEGANZYIHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(cyclohex-1-en-1-yl)-N-cyclopropylacetamide
• IUPAC Traditional name: 2-chloro-N-(cyclohex-1-en-1-yl)-N-cyclopropylacetamide
• Synonyms: 2-chloro-N-cyclohex-1-en-1-yl-N-cyclopropylacetamide

Database IDs

• MDL Number: MFCD06655507
• PubChem SID: 164303973
• PubChem CID: 4962071

CALCULATED PROPERTIES

• Acid pKa: 19.037836
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8869861
• LogD (pH = 7.4): 1.8869861
• Log P: 1.8869861
• Molar Refractivity: 58.7313 cm^3
• Polarizability: 22.331902 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.802

Product Information

• Purity: 95%