2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione

HCID 794732
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Basic information

Standard SMILES
CC(=O)n1cc(C2C(=O)CC(C)(C)CC2=O)c2ccccc21
InChIKey
KOHOMCTVUXTSTM-UHFFFAOYSA-N
Molecular formula
C18H19NO3
Average molar mass
297.3 g/mol

Names & identifiers

Preferred name
2-(1-Acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
IUPAC
2-(1-acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dione

Names & synonyms

2-(1-acetyl-1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione2-(1-acetylindol-3-yl)-5,5-dimethylcyclohexane-1,3-dioneCBMicro_048058Oprea1_064111Oprea1_519851MLS000105933SCHEMBL1049576CHEMBL1409650KOHOMCTVUXTSTM-UHFFFAOYSA-NHMS1672D15HMS2413H22STK726979
Show more names
AKOS000630288312757-62-3SMR000102907BIM-0048099.P001ST50001437AH-034/349620491-acetyl-3-(4,4-dimethyl-2,6-dioxocyclohexyl)indole2-(1-acetyl-1H-indol-3-yl)-5,5-dimethyl-1,3-cyclohexanedione

Database identifiers

PubChem CID
794732
ChEMBL
CHEMBL1409650

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
56.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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