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(Q104972077)
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English
1-[(2E)-1-methylpyrrolidin-2-ylidene]propan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrolidine alkaloid
0 references
mass
139.099714036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃NO
0 references
canonical SMILES
O=C(C=C1N(C)CCC1)C
0 references
isomeric SMILES
CC(=O)/C=C1\CCCN1C
1 reference
based on heuristic
inferred from InChI
found in taxon
Erythroxylum lucidum
1 reference
stated in
Alkaloids of Erythroxylum lucidum stem-bark
Erythroxylum macrophyllum
1 reference
stated in
Alkaloids of Erythroxylum lucidum stem-bark
Erythroxylum moonii
1 reference
stated in
Alkaloids of Erythroxylum lucidum stem-bark
Identifiers
InChI
InChI=1S/C8H13NO/c1-7(10)6-8-4-3-5-9(8)2/h6H,3-5H2,1-2H3/b8-6+
0 references
InChIKey
CXSJAGTXTKECJV-SOFGYWHQSA-N
0 references
PubChem CID
12758234
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CXSJAGTXTKECJV-SOFGYWHQSA-N
UniChem compound ID
50949024
1 reference
stated in
UniChem
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