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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 3-PENTENENITRILE, (3E)-

SMILES

C\C=C\CC#N

InChI

InChIKey=UVKXJAUUKPDDNW-NSCUHMNNSA-N
InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+

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

PubMed

PubMed

TitleDatePubMed
Highly selective hydrocyanation of butadiene toward 3-pentenenitrile.
2007-10-24
Structures of the intermediates formed in the ring-opening reaction of 2-chloro-3-nitropyridine.
2007-01-19
The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium.
2005-02-10
A new 3-(phenylseleno)allylic cation: its regioselective C-C bond formation reaction with nucleophiles.
2002-02-22
Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 12:47:57 GMT 2025
Edited
by admin
on Wed Apr 02 12:47:57 GMT 2025
Record UNII
80L2GJH2P2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PENTENENITRILE, (3E)-
Systematic Name English
(E)-2-BUTENYL CYANIDE
Preferred Name English
TRANS-3-PENTENONITRILE
Systematic Name English
TRANS-3-PENTENENITRILE
Systematic Name English
TRANS-2-BUTENYL CYANIDE
Systematic Name English
TRANS-1-CYANOBUT-2-ENE
Systematic Name English
3-PENTENENITRILE, (E)-
Systematic Name English
(E)-3-PENTENENITRILE
Systematic Name English
Code System Code Type Description
CAS
16529-66-1
Created by admin on Wed Apr 02 12:47:57 GMT 2025 , Edited by admin on Wed Apr 02 12:47:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID901019314
Created by admin on Wed Apr 02 12:47:57 GMT 2025 , Edited by admin on Wed Apr 02 12:47:57 GMT 2025
PRIMARY
FDA UNII
80L2GJH2P2
Created by admin on Wed Apr 02 12:47:57 GMT 2025 , Edited by admin on Wed Apr 02 12:47:57 GMT 2025
PRIMARY
PUBCHEM
5324707
Created by admin on Wed Apr 02 12:47:57 GMT 2025 , Edited by admin on Wed Apr 02 12:47:57 GMT 2025
PRIMARY