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
2.7056 0.6558 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8669 -0.3779 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 -0.1614 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0534 1.0586 -0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3883 1.2978 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 0.2600 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7811 -1.0185 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4045 -1.1928 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 -2.3478 0.0776 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7622 0.5608 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3068 1.6787 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2646 -1.3597 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7065 2.3463 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3622 0.4702 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4479 -1.8701 0.0862 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