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
-2.7076 0.1881 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7193 -0.6367 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3714 -0.3335 -0.1378 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 -1.3241 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -1.2153 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3287 0.0226 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4648 1.0860 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 0.8631 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 1.8400 0.3024 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7381 -0.1731 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7029 1.2304 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -1.6811 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5095 -2.0826 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3649 0.1284 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7440 2.0877 0.7652 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