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
2.6609 -0.8811 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8925 0.1060 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4826 0.0796 -0.0834 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1513 -0.9519 0.4822 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4860 -1.0098 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3046 0.0160 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 1.0937 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 1.0884 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2892 2.0691 -1.0445 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7310 -0.8909 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1605 -1.7405 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3504 0.9591 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -1.8587 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3861 -0.0139 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2861 1.9349 -0.7420 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