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

• ChemBase ID: 287415
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: CC(=O)NC1Cc2c(cccc2)C1
• Canonical SMILES: CC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C11H13NO/c1-8(13)12-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3,(H,12,13)
• InChIKey: AVBOEYUWFJGVRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 13935-80-3
• PubChem SID: 180672946
• PubChem CID: 12452137

CALCULATED PROPERTIES

• Acid pKa: 15.897393
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3061776
• LogD (pH = 7.4): 1.3061776
• Log P: 1.3061776
• Molar Refractivity: 51.71 cm^3
• Polarizability: 20.013372 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%