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- ChemComp-TSR: 2-(1H-INDOL-3-YL)ACETAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: TSR
NameName: 2-(1H-indol-3-yl)acetamide

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Chemical information

Composition
Formula: C10H10N2O / Number of atoms: 23 / Formula weight: 174.199 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: TSR
History
Create componentAug 9, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(N)Cc2c1ccccc1nc2
CACTVS 3.341NC(=O)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)N

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SMILES CANONICAL

CACTVS 3.341NC(=O)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)N

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03ZOAMBXDOGPRZLP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(1H-indol-3-yl)acetamide
OpenEye OEToolkits 1.5.02-(1H-indol-3-yl)ethanamide

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PDB entries

Showing all 3 items

PDB-2oiz:
Crystal Structure of the Tryptamine-Derived (Indol-3-Acetamide)-TTQ Adduct of Aromatic Amine Dehydrogenase

PDB-2ojy:
Crystal structure of indol-3-acetaldehyde derived TTQ-amide adduct of aromatic amine dehydrogenase

PDB-4iv9:
Structure of the Flavoprotein Tryptophan-2-Monooxygenase

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