2-(naphthalen-1-yl)pyrrolidine

• ChemBase ID: 263245
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c2c(ccc1)cccc2)C1NCCC1
• Canonical SMILES: C1CNC(C1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H15N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-3,5-8,14-15H,4,9-10H2
• InChIKey: FEJHFYHZVJWOOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)pyrrolidine
• IUPAC Traditional name: 2-(naphthalen-1-yl)pyrrolidine
• Synonyms: 2-(naphthalen-1-yl)pyrrolidine

Database IDs

• MDL Number: MFCD02663484
• PubChem SID: 164319155
• PubChem CID: 249758

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.25275028
• LogD (pH = 7.4): -0.08414704
• Log P: 2.986636
• Molar Refractivity: 62.9674 cm^3
• Polarizability: 26.175173 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.108

Product Information

• Purity: 95%