8-benzyl-3a,8a-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]indole

• ChemBase ID: 183893
• Molecular Formular: C19H21NO
• Molecular Mass: 279.37614
• Monoisotopic Mass: 279.1623143
• SMILES: C12(N(c3c(C1(CCO2)C)cccc3)Cc1ccccc1)C
• Canonical SMILES: CC12OCCC2(C)c2c(N1Cc1ccccc1)cccc2
• InChI: InChI=1S/C19H21NO/c1-18-12-13-21-19(18,2)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h3-11H,12-14H2,1-2H3
• InChIKey: URGSOXBPVQLXGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-3a,8a-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]indole
• IUPAC Traditional name: 8-benzyl-3a,8a-dimethyl-2H,3H-furo[2,3-b]indole

Database IDs

• PubChem SID: 164239803
• PubChem CID: 3089092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6420574
• LogD (pH = 7.4): 4.6420574
• Log P: 4.6420574
• Molar Refractivity: 86.3498 cm^3
• Polarizability: 33.135334 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds