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
-2.6321 -0.6640 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8540 0.3622 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 0.1448 0.0295 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0502 -1.0760 0.1545 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3895 -1.3201 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2508 -0.2744 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 0.9820 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 1.2078 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 2.3770 -0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2086 -1.6407 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6906 -0.4972 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2542 1.3701 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7705 -2.3296 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 -0.4422 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 1.8002 -0.5344 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