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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H8N2
Molecular Weight 96.1304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-3-(Dimethylamino)-2-propenenitrile

SMILES

CN(C)\C=C\C#N

InChI

InChIKey=ZKKBIZXAEDFPNL-HWKANZROSA-N
InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+

HIDE SMILES / InChI

Molecular Formula C5H8N2
Molecular Weight 96.1304
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:29:00 GMT 2025
Edited
by admin
on Wed Apr 02 13:29:00 GMT 2025
Record UNII
68GK3GC9SA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2E)-3-(Dimethylamino)-2-propenenitrile
Preferred Name English
(E)-3-(Dimethylamino)-2-propenenitrile
Systematic Name English
trans-3-(Dimethylamino)-2-propenenitrile
Systematic Name English
2-Propenenitrile, 3-(dimethylamino)-, (2E)-
Systematic Name English
2-Propenenitrile, 3-(dimethylamino)-, (E)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80878800
Created by admin on Wed Apr 02 13:29:00 GMT 2025 , Edited by admin on Wed Apr 02 13:29:00 GMT 2025
PRIMARY
CAS
35520-41-3
Created by admin on Wed Apr 02 13:29:00 GMT 2025 , Edited by admin on Wed Apr 02 13:29:00 GMT 2025
PRIMARY
FDA UNII
68GK3GC9SA
Created by admin on Wed Apr 02 13:29:00 GMT 2025 , Edited by admin on Wed Apr 02 13:29:00 GMT 2025
PRIMARY
PUBCHEM
5324735
Created by admin on Wed Apr 02 13:29:00 GMT 2025 , Edited by admin on Wed Apr 02 13:29:00 GMT 2025
PRIMARY