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
2.6915 -0.5962 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8022 0.3538 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4233 0.2824 -0.1055 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 1.4264 -0.1709 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 1.4574 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3104 0.3177 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 -0.8595 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2278 -0.8202 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3497 -1.9191 0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7305 -0.3948 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4568 -1.6086 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 1.3648 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1741 2.3949 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3875 0.3772 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1172 -1.7761 0.6792 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