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
2.6768 0.6638 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8694 -0.3737 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4644 -0.1454 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 1.0598 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3920 1.2878 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2986 0.2462 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7512 -1.0172 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3830 -1.1990 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1219 -2.3314 -0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7532 0.5688 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 1.6903 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -1.3353 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8063 2.2929 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3607 0.4434 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4451 -1.8511 -0.2980 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