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-(3-pyridinyl)-2-propen-1-one

SMILES

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

InChI

InChIKey=MZLRFUCMBQWLNV-FNORWQNLSA-N
InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C10H12N2O
Molecular Weight 176.2151
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
MD6L0C82BN
Record Status Validated (UNII)
Record Version