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Details

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

SHOW SMILES / InChI
Structure of 3-METHYL-2-BUTENENITRILE

SMILES

CC(C)=CC#N

InChI

InChIKey=AUGKLUNRHYPDAM-UHFFFAOYSA-N
InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3

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 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:12:14 GMT 2025
Edited
by admin
on Tue Apr 01 19:12:14 GMT 2025
Record UNII
KLX2QO8EUY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-BUTENENITRILE
Systematic Name English
NSC-221457
Preferred Name English
2-BUTENENITRILE, 3-METHYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40197307
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY
FDA UNII
KLX2QO8EUY
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY
NSC
221457
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY
PUBCHEM
94301
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY
CAS
4786-24-7
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-336-7
Created by admin on Tue Apr 01 19:12:14 GMT 2025 , Edited by admin on Tue Apr 01 19:12:14 GMT 2025
PRIMARY