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
2.7752 0.1626 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7740 -0.6400 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4059 -0.2055 -0.0678 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 1.0144 0.3542 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 1.4594 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 0.6453 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9111 -0.6328 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6007 -1.0407 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3211 -2.2114 -0.7725 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6003 1.1628 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7849 -0.1782 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9609 -1.6467 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3560 2.4618 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2312 0.9719 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 -1.3229 -0.4849 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