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
Resources
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
2.7287 -0.3177 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 0.4444 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3790 0.2819 0.2802 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5481 1.1654 0.7092 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8418 1.0927 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 0.0982 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -0.8199 -0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 -0.6932 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7000 -1.5636 -0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7267 -0.0452 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7409 -1.1950 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 1.3165 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5551 1.8274 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3879 0.0405 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 -1.6322 -1.5278 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