Monomers
2-Vinylpyridazine-3(2H)-one
Identifiers
IUPAC name
2-ethenylpyridazin-3-one
InchI
InChI=1S/C6H6N2O/c1-2-8-6(9)4-3-5-7-8/h2-5H,1H2
InchI Key
YPRGCFKFJAQQFV-UHFFFAOYSA-N
SMILES
C=Cn1ncccc1=O
Canonical SMILES
C=CN1C(=O)C=CC=N1
Isomeric SMILES
C=CN1C(=O)C=CC=N1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6N2O
Heavy Atom Count
9
Molecular Weight
122.127
Exact Molecular Weight
122.048
Valence Electrons
46
Radical Electrons
0
tPSA
34.89
MolLogP
0.3438
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
15 15 0 0 0 0 0 0 0 0999 V2000
2.7128 -0.4817 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8214 0.4437 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4089 0.3108 0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3705 1.3576 0.6197 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7007 1.3449 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 0.2021 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5489 -0.8759 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1593 -0.8183 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4436 -1.8577 -0.4441 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7792 -0.2387 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4837 -1.5035 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2349 1.4752 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3025 2.2328 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4186 0.1829 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -1.7741 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers