2-methyl-3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole

• ChemBase ID: 127939
• Molecular Formular: C25H25NO
• Molecular Mass: 355.4721
• Monoisotopic Mass: 355.19361443
• SMILES: c12ccccc1cccc2C(=O)c1c2ccccc2n(c1C)CCCCC
• Canonical SMILES: CCCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3
• InChIKey: IBBNKINXTRKICJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(naphthalene-1-carbonyl)-1-pentyl-1H-indole
• IUPAC Traditional name: 2-methyl-3-(naphthalene-1-carbonyl)-1-pentylindole
• Synonyms: JWH-007

Database IDs

• CAS Number: 155471-10-6
• PubChem SID: 162222255
• PubChem CID: 10360860
• Wikipedia Title: JWH-007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7125425
• LogD (pH = 7.4): 6.7125425
• Log P: 6.7125425
• Molar Refractivity: 112.6912 cm^3
• Polarizability: 45.830402 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false