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
2.7612 0.4092 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8255 -0.4789 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4372 -0.1568 -0.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0079 1.0446 0.2911 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2844 1.3858 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2632 0.4448 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8231 -0.8194 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4801 -1.1034 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0656 -2.2408 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4750 1.3973 0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7921 0.1421 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1326 -1.4728 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 2.3754 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3093 0.6393 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5757 -1.5664 -0.4559 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