8-methyl-8-azabicyclo[3.2.1]oct-2-ene

• ChemBase ID: 798227
• Molecular Formular: C8H13N
• Molecular Mass: 123.19552
• Monoisotopic Mass: 123.10479942
• SMILES: C12N(C(CC=C1)CC2)C
• Canonical SMILES: CN1C2CC=CC1CC2
• InChI: InChI=1S/C8H13N/c1-9-7-3-2-4-8(9)6-5-7/h2-3,7-8H,4-6H2,1H3
• InChIKey: RNHFKJBXKFGPIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]oct-2-ene
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]oct-2-ene
• Synonyms: 8-Methyl-8-azabicyclo[3.2.1]oct-2-ene

Database IDs

• CAS Number: 529-18-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.0101752
• LogD (pH = 7.4): -0.6819441
• Log P: 1.359853
• Molar Refractivity: 39.9741 cm^3
• Polarizability: 15.31781 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%