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
2.7705 -0.0659 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 -0.7095 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3349 -0.3435 0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -1.2047 0.5489 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9324 -0.9595 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 0.2170 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3825 1.1265 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0400 0.7878 -0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 1.6207 -0.7409 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8064 0.8912 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7609 -0.4571 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8525 -1.7013 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7047 -1.6764 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 0.4089 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6125 2.0658 -1.1364 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