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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2O
Molecular Weight 176.2151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-3-(Dimethylamino)-1-(2-pyridinyl)-2-propen-1-one

SMILES

CN(C)\C=C\C(=O)C1=CC=CC=N1

InChI

InChIKey=BWERGHWJEBQNQV-SOFGYWHQSA-N
InChI=1S/C10H12N2O/c1-12(2)8-6-10(13)9-5-3-4-7-11-9/h3-8H,1-2H3/b8-6+

HIDE SMILES / InChI

Molecular Formula C10H12N2O
Molecular Weight 176.2151
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 Sat Dec 16 20:21:28 GMT 2023
Edited
by admin
on Sat Dec 16 20:21:28 GMT 2023
Record UNII
9V87HK2WFX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2E)-3-(Dimethylamino)-1-(2-pyridinyl)-2-propen-1-one
Systematic Name English
3-(Dimethylamino)-1-(2-pyridinyl)-2-propen-1-one
Systematic Name English
1-(2-Pyridyl)-3-dimethylamino-2-propen-1-one
Systematic Name English
3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
Systematic Name English
2-(3-(Dimethylamino)-1-oxoprop-2-en-1-yl)pyridine
Systematic Name English
2-Propen-1-one, 3-(dimethylamino)-1-(2-pyridinyl)-
Systematic Name English
3-Dimethylamino-1-pyridin-2-ylpropenone
Systematic Name English
2-Propen-1-one, 3-(dimethylamino)-1-(2-pyridinyl)-, (2E)-
Systematic Name English
Code System Code Type Description
CAS
123367-25-9
Created by admin on Sat Dec 16 20:21:28 GMT 2023 , Edited by admin on Sat Dec 16 20:21:28 GMT 2023
PRIMARY
CAS
66521-54-8
Created by admin on Sat Dec 16 20:21:28 GMT 2023 , Edited by admin on Sat Dec 16 20:21:28 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
9V87HK2WFX
Created by admin on Sat Dec 16 20:21:28 GMT 2023 , Edited by admin on Sat Dec 16 20:21:28 GMT 2023
PRIMARY
PUBCHEM
5369159
Created by admin on Sat Dec 16 20:21:28 GMT 2023 , Edited by admin on Sat Dec 16 20:21:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY