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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7N
Molecular Weight 81.1158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL-2-BUTENENITRILE, (2E)-

SMILES

C\C=C(/C)C#N

InChI

InChIKey=IHXNSHZBFXGOJM-HWKANZROSA-N
InChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3/b5-3+

HIDE SMILES / InChI

Molecular Formula C5H7N
Molecular Weight 81.1158
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 Mon Mar 31 21:59:07 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:07 GMT 2025
Record UNII
768X49F7XE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-2-BUTENENITRILE, (2E)-
Systematic Name English
TUBULONITRILE
Preferred Name English
(E)-2-METHYLBUT-2-ENENITRILE
Systematic Name English
TRANS-2-METHYL-2-BUTENONITRILE
Systematic Name English
TIGLONITRILE
Systematic Name English
2-BUTENENITRILE, 2-METHYL-, (2E)-
Systematic Name English
TRANS-2-METHYL-2-BUTENENITRILE
Systematic Name English
2-BUTENENITRILE, 2-METHYL-, (E)-
Systematic Name English
CROTONONITRILE, 2-METHYL-, (E)-
Systematic Name English
(E)-2-METHYL-2-BUTENENITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
768X49F7XE
Created by admin on Mon Mar 31 21:59:07 GMT 2025 , Edited by admin on Mon Mar 31 21:59:07 GMT 2025
PRIMARY
PUBCHEM
5355732
Created by admin on Mon Mar 31 21:59:07 GMT 2025 , Edited by admin on Mon Mar 31 21:59:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-247-5
Created by admin on Mon Mar 31 21:59:07 GMT 2025 , Edited by admin on Mon Mar 31 21:59:07 GMT 2025
PRIMARY
CAS
30574-97-1
Created by admin on Mon Mar 31 21:59:07 GMT 2025 , Edited by admin on Mon Mar 31 21:59:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID7027964
Created by admin on Mon Mar 31 21:59:07 GMT 2025 , Edited by admin on Mon Mar 31 21:59:07 GMT 2025
PRIMARY