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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO
Molecular Weight 161.2004
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE

SMILES

CC1=CC=CC2=C1CCNC2=O

InChI

InChIKey=RLLZPXDJYADIEU-UHFFFAOYSA-N
InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H11NO
Molecular Weight 161.2004
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 11:33:45 UTC 2023
Edited
by admin
on Sat Dec 16 11:33:45 UTC 2023
Record UNII
FI8AN8XP0W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Systematic Name English
1(2H)-ISOQUINOLINONE, 3,4-DIHYDRO-5-METHYL-
Systematic Name English
PD-128763
Code English
3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20156053
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY
CAS
129075-56-5
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY
PUBCHEM
148140
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY
DRUG BANK
DB03722
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY
CHEBI
41928
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY
FDA UNII
FI8AN8XP0W
Created by admin on Sat Dec 16 11:33:45 UTC 2023 , Edited by admin on Sat Dec 16 11:33:45 UTC 2023
PRIMARY