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
2.5678 -1.0488 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 0.0591 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 0.0781 -0.1093 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 -1.0182 0.2934 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 -1.0360 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2544 0.0974 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 1.2454 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2675 1.1900 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3445 2.2377 -0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6328 -1.0936 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0540 -1.9533 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3279 0.9784 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9677 -1.9389 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3202 0.0689 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2235 2.1337 -0.1353 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