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Compound
5-Hexanoyl-2-indolinone
HCID
21084645
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCC(=O)c1ccc2c(c1)CC(=O)N2
InChIKey
NPRILXWOKDZDIR-UHFFFAOYSA-N
Molecular formula
C14H17NO2
Average molar mass
231.29 g/mol
Monoisotopic mass
231.12592879
Names & identifiers
Preferred name
5-Hexanoyl-2-indolinone
IUPAC
5-hexanoyl-1,3-dihydroindol-2-one
Names & synonyms
5-hexanoyl-2-indolinone
SCHEMBL4296460
NPRILXWOKDZDIR-UHFFFAOYSA-N
Database identifiers
PubChem CID
21084645
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
301
Show all 8
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
304331
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
347946
As product
uspto-grants-2007_02
HRID
347951
As reactant
uspto-grants-2007_02
HRID
347964
As reactant
uspto-grants-2007_02
HRID
812285
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
855746
As reactant
uspto-grants-2007_08
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Compound notes
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