2,3-dihydro-1H-indene-5-carbohydrazide

• ChemBase ID: 249534
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: C(=O)(c1cc2c(cc1)CCC2)NN
• Canonical SMILES: NNC(=O)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C10H12N2O/c11-12-10(13)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,11H2,(H,12,13)
• InChIKey: VJUMZGWCYRPUOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-5-carbohydrazide
• IUPAC Traditional name: 2,3-dihydro-1H-indene-5-carbohydrazide
• Synonyms: indane-5-carbohydrazide

Database IDs

• MDL Number: MFCD06655885
• PubChem SID: 164305444
• PubChem CID: 4962462

CALCULATED PROPERTIES

• Acid pKa: 14.698789
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5341563
• LogD (pH = 7.4): 1.5350841
• Log P: 1.5350959
• Molar Refractivity: 52.5017 cm^3
• Polarizability: 19.22264 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 164°C
• Hydrophobicity(logP): 1.278

Product Information

• Purity: 95%