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
-2.1078 -1.5999 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -0.4391 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 0.8167 0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9272 1.8767 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4216 1.6111 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1962 2.5907 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9367 0.3805 -0.2616 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1132 -0.6310 -0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3489 0.1744 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9026 -1.0007 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1510 -1.4032 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0217 -1.8911 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -2.4082 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 0.9694 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 2.8888 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9631 1.0469 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9535 -1.1076 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 -1.8743 -0.2629 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