N-methyl-2-(pyrrolidin-3-yloxy)acetamide

• ChemBase ID: 285787
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(NC)COC1CCNC1
• Canonical SMILES: CNC(=O)COC1CNCC1
• InChI: InChI=1S/C7H14N2O2/c1-8-7(10)5-11-6-2-3-9-4-6/h6,9H,2-5H2,1H3,(H,8,10)
• InChIKey: YCJUZARUPJUDJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(pyrrolidin-3-yloxy)acetamide
• IUPAC Traditional name: N-methyl-2-(pyrrolidin-3-yloxy)acetamide
• Synonyms: N-methyl-2-(pyrrolidin-3-yloxy)acetamide

Database IDs

• MDL Number: MFCD16709430
• PubChem SID: 180671318
• PubChem CID: 18337223

CALCULATED PROPERTIES

• Acid pKa: 15.588846
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.6234
• LogD (pH = 7.4): -4.048763
• Log P: -1.3969353
• Molar Refractivity: 41.107 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.161

Product Information

• Purity: 95%