2-hydroxy-N-(prop-2-en-1-yl)benzamide

• ChemBase ID: 108498
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: Oc1c(cccc1)C(=O)NCC=C
• Canonical SMILES: C=CCNC(=O)c1ccccc1O
• InChI: InChI=1S/C10H11NO2/c1-2-7-11-10(13)8-5-3-4-6-9(8)12/h2-6,12H,1,7H2,(H,11,13)
• InChIKey: IECWHJOALGVHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(prop-2-en-1-yl)benzamide
• IUPAC Traditional name: 2-hydroxy-N-(prop-2-en-1-yl)benzamide
• Synonyms: N-ALLYLSALICYLAMIDE

Database IDs

• PubChem SID: 162106211
• PubChem CID: 67048

CALCULATED PROPERTIES

• Acid pKa: 8.190439
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.124368
• LogD (pH = 7.4): 2.060538
• Log P: 2.1252468
• Molar Refractivity: 51.1767 cm^3
• Polarizability: 19.047953 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207601

MP Biomedicals Rare Chemical collection