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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H11N
Molecular Weight 121.1796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Cyclopentylacrylonitrile

SMILES

N#C\C=C\C1CCCC1

InChI

InChIKey=VMELXYJYSXXORF-ZZXKWVIFSA-N
InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+

HIDE SMILES / InChI

Molecular Formula C8H11N
Molecular Weight 121.1796
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 21:04:20 GMT 2025
Edited
by admin
on Wed Apr 02 21:04:20 GMT 2025
Record UNII
J8BYJ7TMY3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Cyclopentylacrylonitrile
Systematic Name English
(2E)-3-Cyclopentylacrylonitrile
Preferred Name English
(E)-3-Cyclopentylacrylonitrile
Systematic Name English
2-Propenenitrile, 3-cyclopentyl-, (2E)-
Systematic Name English
3-cyclopentylprop-2-enenitrile
Systematic Name English
(E)-3-Cyclopentyl-2-propenenitrile
Systematic Name English
2-Propenenitrile, 3-cyclopentyl-
Systematic Name English
3-Cyclopentyl-2-propenenitrile
Systematic Name English
Code System Code Type Description
FDA UNII
J8BYJ7TMY3
Created by admin on Wed Apr 02 21:04:20 GMT 2025 , Edited by admin on Wed Apr 02 21:04:20 GMT 2025
PRIMARY
CAS
591769-05-0
Created by admin on Wed Apr 02 21:04:20 GMT 2025 , Edited by admin on Wed Apr 02 21:04:20 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
1236033-37-6
Created by admin on Wed Apr 02 21:04:20 GMT 2025 , Edited by admin on Wed Apr 02 21:04:20 GMT 2025
PRIMARY
PUBCHEM
21427952
Created by admin on Wed Apr 02 21:04:20 GMT 2025 , Edited by admin on Wed Apr 02 21:04:20 GMT 2025
PRIMARY