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
-2.2035 -0.6925 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1975 -0.0637 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5635 1.0295 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6840 1.6675 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 1.1494 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4754 1.6556 1.9066 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9542 0.0798 0.4204 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0656 -0.4940 -0.3851 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2850 -0.4190 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6073 -1.4689 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -1.2056 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6338 0.0947 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 -1.4855 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5739 1.3924 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9570 2.5170 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9907 0.0619 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9059 -1.9496 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6013 -1.8692 -0.1732 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