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
-2.7154 0.4149 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 -0.5413 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4553 -0.2365 0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0698 1.0180 -0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2008 1.4047 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2298 0.4888 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8437 -0.8320 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -1.1738 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2100 -2.3831 0.2229 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4251 1.4622 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7808 0.2481 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1307 -1.5591 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4809 2.4603 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2591 0.7909 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6486 -1.5622 -0.0478 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