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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2O
Molecular Weight 214.2631
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-HYDROXYBUTYL)-5-CYANOINDOLE

SMILES

OCCCCC1=CNC2=C1C=C(C=C2)C#N

InChI

InChIKey=BZXNEONCFZGWDS-UHFFFAOYSA-N
InChI=1S/C13H14N2O/c14-8-10-4-5-13-12(7-10)11(9-15-13)3-1-2-6-16/h4-5,7,9,15-16H,1-3,6H2

HIDE SMILES / InChI

Molecular Formula C13H14N2O
Molecular Weight 214.2631
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 18:26:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:57 GMT 2023
Record UNII
MU9L8985SW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-HYDROXYBUTYL)-5-CYANOINDOLE
Systematic Name English
1H-INDOLE-5-CARBONITRILE, 3-(4-HYDROXYBUTYL)-
Systematic Name English
3-(4-HYDROXYBUTYL)-1H-INDOLE-5-CARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
MU9L8985SW
Created by admin on Sat Dec 16 18:26:57 GMT 2023 , Edited by admin on Sat Dec 16 18:26:57 GMT 2023
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EPA CompTox
DTXSID00478629
Created by admin on Sat Dec 16 18:26:57 GMT 2023 , Edited by admin on Sat Dec 16 18:26:57 GMT 2023
PRIMARY
CAS
914927-40-5
Created by admin on Sat Dec 16 18:26:57 GMT 2023 , Edited by admin on Sat Dec 16 18:26:57 GMT 2023
PRIMARY
PUBCHEM
12150985
Created by admin on Sat Dec 16 18:26:57 GMT 2023 , Edited by admin on Sat Dec 16 18:26:57 GMT 2023
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