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
2.6367 -0.6266 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 0.2885 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4114 0.2666 0.1716 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 1.4234 0.3368 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5621 1.5061 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 0.3930 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6310 -0.7873 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2557 -0.8238 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 -1.9548 -0.3421 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4154 -1.5221 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7191 -0.4896 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2586 1.1392 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1088 2.4598 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3694 0.4419 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1266 -1.7143 -0.6529 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