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5-Hexanoyl-2-indolinone

HCID 21084645
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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-indolinoneSCHEMBL4296460NPRILXWOKDZDIR-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

Related reactions

6 records
New reaction record
HRID 304331 reaction equation
HRID 304331As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 347946 reaction equation
HRID 347946As productuspto-grants-2007_02
HRID 347951 reaction equation
HRID 347951As reactantuspto-grants-2007_02
HRID 347964 reaction equation
HRID 347964As reactantuspto-grants-2007_02
HRID 812285 reaction equation
HRID 812285As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 855746 reaction equation
HRID 855746As reactantuspto-grants-2007_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes