U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione

SMILES

CN1C(=O)C2=C(CCCC2)C1=O

InChI

InChIKey=KQPBJYADGVCRIC-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
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 Mon Mar 31 21:49:59 GMT 2025
Edited
by admin
on Mon Mar 31 21:49:59 GMT 2025
Record UNII
S25KLY8TPS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Cyclohexene-1,2-dicarboximide, N-methyl-
Preferred Name English
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
Systematic Name English
2-Methyl-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione
Systematic Name English
4,5,6,7-Tetrahydro-2-methyl-1H-isoindole-1,3(2H)-dione
Systematic Name English
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-methyl-
Systematic Name English
Code System Code Type Description
CAS
28839-49-8
Created by admin on Mon Mar 31 21:49:59 GMT 2025 , Edited by admin on Mon Mar 31 21:49:59 GMT 2025
PRIMARY
PUBCHEM
34357
Created by admin on Mon Mar 31 21:49:59 GMT 2025 , Edited by admin on Mon Mar 31 21:49:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID70183036
Created by admin on Mon Mar 31 21:49:59 GMT 2025 , Edited by admin on Mon Mar 31 21:49:59 GMT 2025
PRIMARY
FDA UNII
S25KLY8TPS
Created by admin on Mon Mar 31 21:49:59 GMT 2025 , Edited by admin on Mon Mar 31 21:49:59 GMT 2025
PRIMARY