1-(naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one

• ChemBase ID: 128553
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: C1CCCN1C(CCC)C(=O)c1cc2ccccc2cc1
• Canonical SMILES: CCCC(C(=O)c1ccc2c(c1)cccc2)N1CCCC1
• InChI: InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
• InChIKey: DTNUPBSOODGRKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one
• IUPAC Traditional name: naphyrone
• Synonyms: Naphyrone; O-2482; naphthylpyrovalerone; NRG-1; Naphyrone (O-2482)

Database IDs

• CAS Number: 850352-53-3,850352-11-3(HCl); 850352-53-3
• PubChem SID: 162222860
• PubChem CID: 11243002
• Chemspider ID: 9418039
• Wikipedia Title: Naphyrone

CALCULATED PROPERTIES

• Acid pKa: 17.830462
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9035695
• LogD (pH = 7.4): 3.6656508
• Log P: 4.3535213
• Molar Refractivity: 87.4999 cm^3
• Polarizability: 35.368195 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others
• Legal Status: Class B (UK), I-P(Poland)

Product Information

• Salt Data: Free Base