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
2.7286 0.0948 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 -0.3383 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -0.1687 -0.2629 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3377 -0.5255 -1.3078 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 -0.4222 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 0.0677 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6089 0.4421 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2135 0.3067 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4455 0.6622 1.8148 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 0.6342 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7802 -0.1003 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -0.8991 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2593 -0.7234 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4463 0.1416 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0906 0.8281 1.7197 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