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Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NO
Molecular Weight 177.2429
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one

SMILES

CCC1=C(C)NC2=C1C(=O)CCC2

InChI

InChIKey=RZUQNFAPFIHYCR-UHFFFAOYSA-N
InChI=1S/C11H15NO/c1-3-8-7(2)12-9-5-4-6-10(13)11(8)9/h12H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H15NO
Molecular Weight 177.2429
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:08 GMT 2023
Record UNII
8F5GDR8N9G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
Systematic Name English
Molindone Related Compound A [USP-RS]
Common Name English
NSC-136938
Code English
4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-
Systematic Name English
Code System Code Type Description
NSC
136938
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
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FDA UNII
8F5GDR8N9G
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
PRIMARY
CAS
6116-76-3
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
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RS_ITEM_NUM
1445437
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID30210054
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
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PUBCHEM
80204
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-084-6
Created by admin on Sat Dec 16 19:05:09 GMT 2023 , Edited by admin on Sat Dec 16 19:05:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY