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
2.5977 -0.9454 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8981 0.1672 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4650 0.1069 0.0528 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1300 -1.0667 -0.0163 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4660 -1.1438 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2800 -0.0386 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6553 1.1943 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2791 1.2066 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2833 2.3326 0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1238 -1.9095 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6674 -0.8989 -0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3485 1.1438 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9752 -2.1188 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3677 -0.1314 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2306 2.1016 0.3698 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