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
2.3889 -1.1779 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2700 -0.2270 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4799 1.1350 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4544 2.0094 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8265 1.5507 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7735 2.3672 -0.3298 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 0.2194 -0.1785 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 -0.6378 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 -0.2659 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5309 -1.5544 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5861 -1.8026 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3015 -0.6091 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 -1.8372 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 1.5071 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6417 3.0837 0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1444 0.4176 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 -2.2350 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5153 -1.9432 -0.5961 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