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
-2.6971 0.0684 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 -0.7622 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3688 -0.3880 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -1.3793 -0.0782 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8149 -1.1531 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3139 0.1347 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4168 1.1540 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0675 0.8618 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6903 1.8621 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5837 1.0619 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7325 -0.2741 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9601 -1.7927 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 -1.9722 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3559 0.3735 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 2.2052 0.0250 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