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
0.9194 -0.3158 -2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0517 -0.6902 -1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0614 -0.2046 -0.4433 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 0.6061 0.0104 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 1.0776 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 0.7388 2.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0831 -0.1089 1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -0.5592 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -1.3423 -0.0267 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.6424 -3.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6946 0.3449 -2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8069 -1.3483 -2.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6862 1.7386 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1012 1.1069 3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 -0.4012 2.4075 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