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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:74235 - isoindolin-1-one
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ChEBI Ontology
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ChEBI Name
isoindolin-1-one
ChEBI ID
CHEBI:74235
Definition
A member of the class of isoindoles that is 2,3-dihydro-1
H
-isoindole in which the hydrogens at positon 1 are replaced by an oxo group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H7NO
Net Charge
0
Average Mass
133.14730
Monoisotopic Mass
133.05276
InChI
InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)
InChIKey
PXZQEOJJUGGUIB-UHFFFAOYSA-N
SMILES
O=C1NCc2ccccc12
ChEBI Ontology
Outgoing
isoindolin-1-one (
CHEBI:74235
)
is a
γ-lactam (
CHEBI:74222
)
isoindolin-1-one (
CHEBI:74235
)
is a
isoindoles (
CHEBI:24897
)
IUPAC Name
isoindolin-1-one
Synonyms
Sources
1-oxo-isoindoline
ChEBI
2,3-dihydro-1
H
-isoindol-1-one
ChemIDplus
2,3-dihydro-3-oxo-1
H
-isoindole
ChEBI
dihydro-isoindol-1-one
ChEBI
Registry Numbers
Types
Sources
115010
Reaxys Registry Number
Reaxys
480-91-1
CAS Registry Number
ChemIDplus
Last Modified
20 June 2013