2-(2-phenylethenyl)pyrrolidine

• ChemBase ID: 248831
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C(=C\C1NCCC1)/c1ccccc1
• Canonical SMILES: C1CNC(C1)/C=C/c1ccccc1
• InChI: InChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2
• InChIKey: RQGQABZKJKPSSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethenyl)pyrrolidine
• IUPAC Traditional name: 2-(2-phenylethenyl)pyrrolidine
• Synonyms: 2-(2-phenylethenyl)pyrrolidine

Database IDs

• MDL Number: MFCD20232431
• PubChem SID: 164304741
• PubChem CID: 5899815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6261064
• LogD (pH = 7.4): -0.2146679
• Log P: 2.6070747
• Molar Refractivity: 56.8358 cm^3
• Polarizability: 22.089853 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.738

Product Information

• Purity: 95%