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
2.7956 0.0141 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7405 -0.7403 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3790 -0.3724 0.0685 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -1.3340 0.1682 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 -1.0871 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3684 0.1831 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 1.1884 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0772 0.8615 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 1.8097 -0.2296 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7611 1.0752 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7779 -0.4751 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9276 -1.8310 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6200 -1.8792 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4282 0.3743 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7520 2.2130 -0.3875 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