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
2.6557 0.1487 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8399 -0.3715 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4527 -0.1186 -0.1431 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 0.6134 0.8376 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3555 0.8629 0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2512 0.3457 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7378 -0.4198 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3748 -0.6422 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0493 -1.3610 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7291 0.0068 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2468 0.7466 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 -0.9779 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7468 1.4664 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3078 0.5389 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4343 -0.8385 -1.7018 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