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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9N3O2
Molecular Weight 167.1653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Allyl-2-methyl-5-nitro-1H-imidazole

SMILES

CC1=NC=C(N1CC=C)[N+]([O-])=O

InChI

InChIKey=FRPCZQWGVIAXPC-UHFFFAOYSA-N
InChI=1S/C7H9N3O2/c1-3-4-9-6(2)8-5-7(9)10(11)12/h3,5H,1,4H2,2H3

HIDE SMILES / InChI

Molecular Formula C7H9N3O2
Molecular Weight 167.1653
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 12:31:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:41 GMT 2023
Record UNII
HP2SB4W7TB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Allyl-2-methyl-5-nitro-1H-imidazole
Systematic Name English
2-methyl-5-nitro-1-prop-2-enylimidazole
Systematic Name English
2-Methyl-5-nitro-1-(2-propen-1-yl)-1H-imidazole
Systematic Name English
1H-Imidazole, 2-methyl-5-nitro-1-(2-propen-1-yl)-
Systematic Name English
1-Allyl-2-methyl-5-nitroimidazole
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
236-202-2
Created by admin on Sat Dec 16 12:31:41 GMT 2023 , Edited by admin on Sat Dec 16 12:31:41 GMT 2023
PRIMARY
CAS
13230-43-8
Created by admin on Sat Dec 16 12:31:41 GMT 2023 , Edited by admin on Sat Dec 16 12:31:41 GMT 2023
PRIMARY
FDA UNII
HP2SB4W7TB
Created by admin on Sat Dec 16 12:31:41 GMT 2023 , Edited by admin on Sat Dec 16 12:31:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID50157472
Created by admin on Sat Dec 16 12:31:41 GMT 2023 , Edited by admin on Sat Dec 16 12:31:41 GMT 2023
PRIMARY
PUBCHEM
83250
Created by admin on Sat Dec 16 12:31:41 GMT 2023 , Edited by admin on Sat Dec 16 12:31:41 GMT 2023
PRIMARY