2-CYANOETHYLISOXAZOLIN-5-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N2O2
Molecular Weight	138.124
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-CYANOETHYLISOXAZOLIN-5-ONE

Structure Search

SMILES

O=C1ON(CCC#N)C=C1

InChI

InChIKey=DNSSEQBYSHSUGR-UHFFFAOYSA-N

InChI=1S/C6H6N2O2/c7-3-1-4-8-5-2-6(9)10-8/h2,5H,1,4H2

HIDE SMILES / InChI

Molecular Formula	C6H6N2O2
Molecular Weight	138.124
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 `Wed Apr 02 08:02:51 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:51 GMT 2025`
Record UNII	4U7QR8U7E9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2(5H)-ISOXAZOLEPROPANENITRILE, 5-OXO-

Preferred Name

English

2-CYANOETHYLISOXAZOLIN-5-ONE

Systematic Name

English

3-(5-OXIDANYLIDENE-1,2-OXAZOL-2-YL)PROPANENITRILE

Systematic Name

English

2-(2-CYANOETHYL)ISOXAZOLIN-5-ONE

Systematic Name

English

5-OXO-2(5H)-ISOXAZOLEPROPANENITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

4U7QR8U7E9

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

PRIMARY

EPA CompTox

DTXSID00965903

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

PRIMARY

PUBCHEM

171055

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

PRIMARY

CAS

51580-99-5

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

PRIMARY