TNE

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Summary

Name:8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE
Synonyms:TROPINONE
Formula:C8 H13 N O
Formal charge:0
Molecular weight:139.195 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
OpenEye OEToolkits1.5.0(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1CC2N(C)C(C1)CC2
SMILES_CANONICALCACTVS3.341CN1[C@H]2CC[C@@H]1CC(=O)C2
SMILESCACTVS3.341CN1[CH]2CC[CH]1CC(=O)C2
SMILES_CANONICALOpenEye OEToolkits1.5.0CN1[C@H]2CC[C@@H]1CC(=O)C2
SMILESOpenEye OEToolkits1.5.0CN1C2CCC1CC(=O)C2
InChIInChI1.03InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyInChI1.03QQXLDOJGLXJCSE-KNVOCYPGSA-N