N-(2,3-dihydro-1H-inden-5-yl)acetamide

• ChemBase ID: 87026
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: N(c1cc2c(cc1)CCC2)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
• InChIKey: WOYOJAPRKMBKEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-5-yl)acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-5-yl)acetamide
• Synonyms: N1-(2,3-dihydro-1H-inden-5-yl)acetamide

Database IDs

• CAS Number: 59856-06-3
• MDL Number: MFCD00221464
• PubChem SID: 162074142
• PubChem CID: 583823

CALCULATED PROPERTIES

• Acid pKa: 14.711059
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2186418
• LogD (pH = 7.4): 2.2186418
• Log P: 2.2186418
• Molar Refractivity: 53.8022 cm^3
• Polarizability: 19.846468 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%