N-methyl-1H-indole-7-carboxamide

N-methyl-1H-indole-7-carboxamide bmse011136 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H10N2O

Natural Isotopic Abundance Mass: 174.1991999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 174.07931295
  • C13N14: 184.11286133000004
  • C12N15: 176.073382736
  • C13N15: 186.10693111600006

InChI string: InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)

wwPDB CCD: O2A

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)