Monomers
2-Ethenyl-6-methylpyridazin-3(2H)-one
Identifiers
IUPAC name
2-ethenyl-6-methylpyridazin-3-one
InchI
InChI=1S/C7H8N2O/c1-3-9-7(10)5-4-6(2)8-9/h3-5H,1H2,2H3
InchI Key
XDGWZXLOJQQYPH-UHFFFAOYSA-N
SMILES
Cc1ccc(=O)n(n1)C=C
Canonical SMILES
CC1=NN(C(=O)C=C1)C=C
Isomeric SMILES
CC1=NN(C(=O)C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8N2O
Heavy Atom Count
10
Molecular Weight
136.154
Exact Molecular Weight
136.0637
Valence Electrons
52
Radical Electrons
0
tPSA
34.89
MolLogP
0.6522
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
-2.3084 -0.8421 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2471 -0.0794 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 1.0827 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 1.7844 -1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7179 1.2641 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 1.8563 -1.5128 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 0.1286 -0.2826 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 -0.5408 0.3394 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3041 -0.3833 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6018 -1.4960 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8653 -0.1955 1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9928 -1.2839 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8637 -1.6842 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5820 1.4692 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 2.6991 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 0.1581 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 -2.0292 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 -1.9080 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 9 1 0
9 10 2 3
8 2 2 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
4 15 1 0
9 16 1 0
10 17 1 0
10 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers