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
2.7324 0.1822 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7808 -0.6886 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4101 -0.3666 -0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4807 -1.3867 -0.0461 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 -1.2080 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3605 0.0446 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4908 1.1046 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1243 0.8506 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6255 1.8678 -0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6461 1.2184 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7952 -0.1520 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0759 -1.7106 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4994 -2.0464 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 0.1778 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8740 2.1128 0.2005 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