N-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 796501
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: CC(=O)NC1CNCC1
• Canonical SMILES: CC(=O)NC1CNCC1
• InChI: InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)
• InChIKey: HDCCJUCOIKLZNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-(pyrrolidin-3-yl)acetamide
• Synonyms: N-(Pyrrolidin-3-yl)acetaMide

Database IDs

• CAS Number: 79286-74-1

CALCULATED PROPERTIES

• Acid pKa: 16.032026
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4556684
• LogD (pH = 7.4): -4.0346265
• Log P: -1.2228138
• Molar Refractivity: 34.6536 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%