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
-2.6305 -0.7696 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 0.2670 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4403 0.1253 0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 -1.0657 0.1813 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 -1.2808 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 -0.1939 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 1.0526 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3195 1.2144 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1823 2.3880 0.2363 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1692 -1.7503 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6785 -0.6414 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 1.2549 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 -2.2613 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3072 -0.2896 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2674 1.9503 0.6899 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