Molecule ID: 5371562

IUPAC Name: dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

Description: The molecule is an alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, an avicide and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is a dialkyl phosphate, an organophosphate insecticide, an alkenyl phosphate and a monocarboxylic acid amide.

SMILES: CN=C(O)/C=C(\C)OP(=O)(OC)OC

SELFIES: [C][N][=C][Branch1][C][O][/C][=C][Branch1][C][\C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]

InChI: InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+

Molecular Properties:
- Polar Surface Area: 73.9 Ų
- LogP: -0.2