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
2.7365 0.4736 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 -0.4664 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4507 -0.1696 0.0317 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0064 1.0746 -0.2106 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2997 1.3614 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2683 0.3961 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -0.8858 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4763 -1.1236 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0480 -2.2995 0.4508 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4622 1.5011 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7986 0.2713 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1264 -1.4789 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 2.3791 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3297 0.6383 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5419 -1.6716 0.3359 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