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

• ChemBase ID: 185534
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: N1(C2C(c3c1cccc3)(CCO2)C)Cc1ccccc1
• Canonical SMILES: CC12CCOC1N(c1c2cccc1)Cc1ccccc1
• InChI: InChI=1S/C18H19NO/c1-18-11-12-20-17(18)19(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)18/h2-10,17H,11-13H2,1H3
• InChIKey: NCMVPGABXJTSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241444
• PubChem CID: 3769567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.393995
• LogD (pH = 7.4): 4.393995
• Log P: 4.393995
• Molar Refractivity: 81.328 cm^3
• Polarizability: 31.289536 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds