2-chloro-N,N-bis(prop-2-en-1-yl)propanamide

• ChemBase ID: 253895
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: C(=O)(N(CC=C)CC=C)C(Cl)C
• Canonical SMILES: C=CCN(C(=O)C(Cl)C)CC=C
• InChI: InChI=1S/C9H14ClNO/c1-4-6-11(7-5-2)9(12)8(3)10/h4-5,8H,1-2,6-7H2,3H3
• InChIKey: MDULRZHSTPYALN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-bis(prop-2-en-1-yl)propanamide
• IUPAC Traditional name: 2-chloro-N,N-bis(prop-2-en-1-yl)propanamide
• Synonyms: 2-chloro-N,N-bis(prop-2-en-1-yl)propanamide

Database IDs

• MDL Number: MFCD09950158
• PubChem SID: 164309805
• PubChem CID: 24710380

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9856715
• LogD (pH = 7.4): 1.9856715
• Log P: 1.9856715
• Molar Refractivity: 51.8318 cm^3
• Polarizability: 19.85714 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.888

Product Information

• Purity: 95%