N-[4-(pyrrolidin-1-yl)phenyl]acetamide

• ChemBase ID: 289943
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: CC(=O)Nc1ccc(N2CCCC2)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)N1CCCC1
• InChI: InChI=1S/C12H16N2O/c1-10(15)13-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
• InChIKey: ATKVNSUOTPRKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(pyrrolidin-1-yl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(pyrrolidin-1-yl)phenyl]acetamide
• Synonyms: N-(4-(Pyrrolidin-1-yl)phenyl)acetamide

Database IDs

• CAS Number: 52373-51-0
• PubChem SID: 180675474
• PubChem CID: 1480263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6514258
• LogD (pH = 7.4): 1.7237922
• Log P: 1.7247975
• Molar Refractivity: 62.8906 cm^3
• Polarizability: 22.981544 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.036963

PROPERTIES

Product Information

• Purity: 95+%