5-methyl-2,3-dihydro-1H-indole

• ChemBase ID: 285949
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: c12c(cc(cc2)C)CCN1
• Canonical SMILES: Cc1ccc2c(c1)CCN2
• InChI: InChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
• InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2,3-dihydro-1H-indole
• IUPAC Traditional name: 5-methyl-2,3-dihydro-1H-indole
• Synonyms: 5-methyl-2,3-dihydro-1H-indole; 5-Methylindoline

Database IDs

• CAS Number: 65826-95-1
• MDL Number: MFCD03093636
• PubChem SID: 180671480
• PubChem CID: 14023679

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8685727
• LogD (pH = 7.4): 1.9974153
• Log P: 1.9993339
• Molar Refractivity: 44.6026 cm^3
• Polarizability: 16.130074 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.275

Product Information

• Purity: 95%; 95+%; 97%