Tropinone
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Molecular Identity
Tropinone
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID: 446337
Tropinone is a tropane alkaloid. It is a conjugate base of a tropiniumone.
2D Structure
Properties
C8H13NO
Molecular Formula
139.19
Molecular Weight
g/mol
139.0997
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
20.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
151
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CCC1CC(=O)C2Isomeric SMILES
SMILES: CN1[C@@H]2CC[C@H]1CC(=O)C2Synonyms(20)
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one3-Tropanone3-TropinoneTropinon2A8CC8KA5FTropanoneCHEBI:166561alphaH,5alphaH-Tropan-3-oneNSC-118012N-Methyl-8-azabicyclo[3.2.1]octan-3-oneN-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-ONE(1R,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-ONEDTXSID30862133RefChem:933574DTXCID20810941
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tropinone
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