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
2.6008 -0.8510 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8910 0.2173 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4589 0.1219 0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1268 -1.0625 0.1374 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4593 -1.2120 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2695 -0.1106 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 1.1392 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3083 1.1857 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2759 2.3154 -0.2994 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6676 -0.7618 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1658 -1.8286 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 1.1795 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9170 -2.1873 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3427 -0.1741 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2911 2.0288 -0.5021 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