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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8N2O
Molecular Weight 100.1191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GYROMITRIN

SMILES

C\C=N\N(C)C=O

InChI

InChIKey=IMAGWKUTFZRWSB-HWKANZROSA-N
InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+

HIDE SMILES / InChI

Molecular Formula C4H8N2O
Molecular Weight 100.1191
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
S9J72G0T46
Record Status Validated (UNII)
Record Version