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
2.7290 -0.2781 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7439 0.5164 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3801 0.3178 0.2319 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5326 1.2488 0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 1.1509 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3290 0.0539 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4113 -0.9155 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 -0.7592 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -1.7079 -0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6952 -1.2142 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7381 0.0167 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9291 1.4807 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5365 1.9329 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3949 -0.0440 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -1.7989 -1.2454 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