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
2.4846 -0.6267 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2740 0.0903 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3003 1.4153 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1394 2.0276 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 1.2949 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 1.8258 -0.9758 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0197 0.0262 -0.2046 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0972 -0.5339 0.1866 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2050 -0.7236 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2098 -1.9827 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 -1.5074 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 -0.0037 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2797 -1.0094 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2544 1.9354 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2124 3.0600 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1184 -0.2528 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 -2.4436 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0997 -2.5917 0.2253 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