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
-2.7458 0.3435 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 -0.5475 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4357 -0.1516 -0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0449 1.0877 0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2474 1.4650 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2237 0.4874 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8599 -0.8282 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5088 -1.1059 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -2.2999 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4843 1.3915 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7951 0.0735 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0955 -1.5671 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 2.4867 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2457 0.7654 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 -1.6006 -0.3603 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