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
2.5622 -0.3057 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7628 -0.7580 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4107 -0.3304 -0.1476 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4404 -1.1569 -0.8002 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 -0.8300 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2569 0.3437 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4242 1.1981 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0859 0.8118 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6714 1.6124 0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2979 0.3981 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 -0.6655 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 -1.5054 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4160 -1.5039 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3231 0.5581 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 2.1334 0.5856 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