3-(3-methyl-1H-indol-1-yl)propanehydrazide

• ChemBase ID: 277649
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: n1(cc(c2c1cccc2)C)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCn1cc(c2c1cccc2)C
• InChI: InChI=1S/C12H15N3O/c1-9-8-15(7-6-12(16)14-13)11-5-3-2-4-10(9)11/h2-5,8H,6-7,13H2,1H3,(H,14,16)
• InChIKey: BXDAVXVLDWXJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methyl-1H-indol-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(3-methylindol-1-yl)propanehydrazide
• Synonyms: 3-(3-methyl-1H-indol-1-yl)propanehydrazide

Database IDs

• MDL Number: MFCD18372457
• PubChem SID: 164333559
• PubChem CID: 54594699

CALCULATED PROPERTIES

• Acid pKa: 13.281052
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4181451
• LogD (pH = 7.4): 1.4206505
• Log P: 1.420683
• Molar Refractivity: 64.1727 cm^3
• Polarizability: 25.471436 Å^3
• Polar Surface Area: 60.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.605

Product Information

• Purity: 95%