8-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 120197
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: c12NCCCc1cccc2CC=C.Cl
• Canonical SMILES: C=CCc1cccc2c1NCCC2.Cl
• InChI: InChI=1S/C12H15N.ClH/c1-2-5-10-6-3-7-11-8-4-9-13-12(10)11;/h2-3,6-7,13H,1,4-5,8-9H2;1H
• InChIKey: NXQKYVUCHGVWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline hydrochloride
• IUPAC Traditional name: 8-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline hydrochloride
• Synonyms: 8-allyl-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• PubChem SID: 162214550
• PubChem CID: 12735174

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0058749
• LogD (pH = 7.4): 3.028752
• Log P: 3.0290518
• Molar Refractivity: 58.4497 cm^3
• Polarizability: 21.517902 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds