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
-2.5960 0.8751 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8500 -0.2123 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4419 -0.1184 -0.0311 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1307 1.0650 0.1228 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4632 1.2064 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 0.0827 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6628 -1.1500 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2946 -1.2374 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2665 -2.3787 -0.2731 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6708 0.8644 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1245 1.8475 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3476 -1.1633 -0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9322 2.1636 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3225 0.2093 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2408 -2.0540 -0.1348 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