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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO
Molecular Weight 187.2377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1-OXOBUTYL)-1H-INDOLE

SMILES

CCCC(=O)N1C=CC2=C1C=CC=C2

InChI

InChIKey=AJZZYHUKCOKFPJ-UHFFFAOYSA-N
InChI=1S/C12H13NO/c1-2-5-12(14)13-9-8-10-6-3-4-7-11(10)13/h3-4,6-9H,2,5H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H13NO
Molecular Weight 187.2377
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 Tue Apr 01 19:25:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:25 GMT 2025
Record UNII
7BQ1SSS0WH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-84178
Preferred Name English
1-(1-OXOBUTYL)-1H-INDOLE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20239916
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
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PUBCHEM
96651
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
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FDA UNII
7BQ1SSS0WH
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
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CAS
93941-01-6
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
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ECHA (EC/EINECS)
300-500-1
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
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NSC
84178
Created by admin on Tue Apr 01 19:25:25 GMT 2025 , Edited by admin on Tue Apr 01 19:25:25 GMT 2025
PRIMARY