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
2.7412 0.2920 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7267 -0.4745 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3694 -0.3110 0.1244 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 -1.2843 -0.1795 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7891 -1.2334 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2967 -0.0995 0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4677 0.9324 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 0.7938 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6086 1.7915 1.0314 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7303 -0.0005 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6437 1.1969 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9857 -1.3988 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4637 -2.0546 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3660 0.0019 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8489 1.8480 1.4486 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