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
-2.6931 0.3659 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8124 -0.5115 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4224 -0.3564 -0.1058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3776 -1.4374 -0.0519 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7043 -1.3686 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -0.1305 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5389 1.0181 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 0.8519 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 1.9487 -0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7608 0.1296 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4128 1.2923 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1492 -1.4730 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3381 -2.2655 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3640 -0.0645 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9807 2.0010 0.1060 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