tropinone (CHEBI:16656)

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Substructure Search Similarity Search Identity Search Molfile ChEBI Name tropinone ChEBI ID CHEBI:16656 Last Modified 13 September 2007 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9760, CHEBI:27159, CHEBI:46048, CHEBI:15270  Image  Applet more structures >> Substructure Search Similarity Search Identity Search Molfile

InChI InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+ InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+

InChIKey InChIKey=QQXLDOJGLXJCSE-KNVOCYPGBG InChIKey=QQXLDOJGLXJCSE-KNVOCYPGBG SMILES CN1[C@H]2CC[C@@H]1CC(=O)C2 CN1[C@H]2CC[C@@H]1CC(=O)C2 Formula Source C8H13NO KEGG COMPOUND Charge 0 Mass 139.19496 ChEBI Ontology Tree view Outgoing tropinone (CHEBI:16656) is conjugate base of (1R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octan-8-ium (CHEBI:57851) tropinone (CHEBI:16656) is a tropane alkaloid (CHEBI:37332) Incoming (1R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octan-8-ium (CHEBI:57851) is conjugate acid of tropinone (CHEBI:16656) IUPAC Name tropan-3-one Synonyms Sources (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one IUPAC 1αH,5αH-tropan-3-one NIST Chemistry WebBook 3-Tropanone KEGG COMPOUND 3-tropinone ChemIDplus 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE PDBeChem 8-methyl-8-azabicyclo[3.2.1]octan-3-one NIST Chemistry WebBook N-methyl-8-azabicyclo[3.2.1]octan-3-one NIST Chemistry WebBook Tropinon ChemIDplus Tropinone KEGG COMPOUND Database Links Databases C00783 KEGG COMPOUND TNE PDBeChem Registry Numbers Types Sources 1524439 Beilstein Registry Number Beilstein 1568090 Gmelin Registry Number Gmelin 4658547 Beilstein Registry Number Beilstein 532-24-1 CAS Registry Number ChemIDplus 532-24-1 CAS Registry Number NIST Chemistry WebBook