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
-2.7114 0.3912 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -0.3731 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 -0.2526 0.3703 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5163 -1.1737 0.7856 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -1.1635 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 -0.1875 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4413 0.7615 -0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 0.7065 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6824 1.6004 -0.8478 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6685 1.2583 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7326 0.1984 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.2351 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5094 -1.9204 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3748 -0.1725 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7818 1.5622 -1.4492 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