(1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl 2-bromo-1-methylcyclopropane-1-carboxylate

• ChemBase ID: 198788
• Molecular Formular: C15H24BrNO2
• Molecular Mass: 330.26056
• Monoisotopic Mass: 329.09904101
• SMILES: C1(CC1Br)(C(=O)OC[C@H]1[C@@H]2N(CCC1)CCCC2)C
• Canonical SMILES: BrC1CC1(C)C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
• InChI: InChI=1S/C15H24BrNO2/c1-15(9-13(15)16)14(18)19-10-11-5-4-8-17-7-3-2-6-12(11)17/h11-13H,2-10H2,1H3/t11-,12+,13?,15?/m0/s1
• InChIKey: BXPSMNAXFOSEKJ-HJZMNPPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl 2-bromo-1-methylcyclopropane-1-carboxylate
• IUPAC Traditional name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl 2-bromo-1-methylcyclopropane-1-carboxylate

Database IDs

• PubChem SID: 164254698
• PubChem CID: 16399254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31323883
• LogD (pH = 7.4): 1.125127
• Log P: 3.0067317
• Molar Refractivity: 78.8455 cm^3
• Polarizability: 31.153255 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds