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
2.7674 -0.4167 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 0.4847 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4320 0.1628 0.0401 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0234 -1.0802 -0.1465 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2814 -1.4003 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2683 -0.4403 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8539 0.8629 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 1.1237 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 2.2977 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5169 -1.4628 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8119 -0.1545 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1079 1.5186 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5520 -2.4360 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3212 -0.7146 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 1.6550 0.1182 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