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
2.6911 0.2581 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7659 -0.5826 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 -0.3563 0.1376 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4398 -1.3644 0.2859 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7681 -1.2557 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3325 -0.0357 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4849 1.0239 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 0.8445 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 1.9012 -0.2926 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6229 1.2078 -0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7398 -0.0752 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0452 -1.5492 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4100 -2.1296 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4149 0.1055 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9076 2.0076 -0.4669 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