BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

indole-3-acetamide

Graphical representations:

indole-3-acetamide image

Molecular Formula: C10 H10 N2 O

Natural Isotopic Abundance Mass: 174.1992

Mono-Isotopic Molecular Masses:

  • C12N14: 174.0793129535
  • C13N14: 184.1128613315
  • C12N15: 176.0733827399
  • C13N15: 186.1069311179

InCHi String: InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)

canonical and isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(1H-indol-3-yl)acetamide

PUBCHEM iupac SYSTEMATIC NAME
2-(1H-indol-3-yl)ethanamide

PubChem Substance (SID):   111677833   24857238   8143735
PubChem Compound (CID):   397
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   TSR
Miscellaneous Databases and IDs:   Sigma-Aldrich 286281_ALDRICH   ChEBI CHEBI:16031   MMDB 45523.5   NIST Chemistry WebBook 1245580774   NIST 1245580774   MMCD cq_01641   MDL MFCD00005641

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.