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
2.6296 0.7728 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8593 -0.1449 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4586 -0.0789 -0.1191 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0649 0.8807 0.6183 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3785 0.9877 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2382 0.0354 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 -0.9899 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3729 -1.0046 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1394 -1.9232 -1.3501 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 1.5499 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6892 0.7452 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 -0.9367 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7952 1.7793 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3077 0.0741 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 -1.7469 -0.8741 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