3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]pyridine

• ChemBase ID: 184848
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: [C@@H]12C(OC[C@H](C2)CC=C1C)c1cnccc1
• Canonical SMILES: CC1=CC[C@H]2C[C@@H]1C(OC2)c1cccnc1
• InChI: InChI=1S/C14H17NO/c1-10-4-5-11-7-13(10)14(16-9-11)12-3-2-6-15-8-12/h2-4,6,8,11,13-14H,5,7,9H2,1H3/t11-,13-,14?/m1/s1
• InChIKey: CFPAFLNPSULJOL-AYBZEELNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]pyridine
• IUPAC Traditional name: 3-[(1R,5R)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]pyridine

Database IDs

• PubChem SID: 164240758
• PubChem CID: 16396102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0769784
• LogD (pH = 7.4): 2.1329367
• Log P: 2.1337113
• Molar Refractivity: 64.421 cm^3
• Polarizability: 24.99928 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds