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
2.6953 0.5887 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8459 -0.3976 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4272 -0.1823 -0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0305 1.0189 0.2151 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3212 1.3196 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2546 0.3124 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7733 -0.9425 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 -1.1776 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 -2.3489 -0.4977 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 0.4232 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2744 1.5659 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2144 -1.3777 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 2.3436 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2984 0.5831 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 -1.7287 -0.4389 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