1,5-dimethyl-1H-indole-2-carbohydrazide

• ChemBase ID: 36098
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: n1(c(cc2c1ccc(c2)C)C(=O)NN)C
• Canonical SMILES: NNC(=O)c1cc2c(n1C)ccc(c2)C
• InChI: InChI=1S/C11H13N3O/c1-7-3-4-9-8(5-7)6-10(14(9)2)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
• InChIKey: RFFZCOWSYPJOJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 1,5-dimethylindole-2-carbohydrazide
• Synonyms: 1,5-Dimethyl-1H-indole-2-carbohydrazide

Database IDs

• MDL Number: MFCD09268038
• PubChem SID: 160999405
• PubChem CID: 16484444

CALCULATED PROPERTIES

• Acid pKa: 15.426443
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2822506
• LogD (pH = 7.4): 1.2832581
• Log P: 1.283271
• Molar Refractivity: 60.5224 cm^3
• Polarizability: 23.327467 Å^3
• Polar Surface Area: 60.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false