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
-2.7326 -0.2347 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6934 -0.0909 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3308 0.0159 0.3876 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5743 0.3516 1.3465 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 0.4643 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3089 0.2337 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 -0.1045 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0712 -0.2084 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 -0.5253 -1.7720 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7372 -0.2983 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7388 -0.3037 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9090 -0.0469 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 0.7301 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3550 0.3165 -0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6861 -0.2996 -2.2367 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