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
2.6242 0.7606 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8749 -0.3089 -0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4676 -0.1334 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0740 1.0885 -0.0061 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 1.2447 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2688 0.1819 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7131 -1.0813 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 -1.1816 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 -2.3432 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 1.7585 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 0.6485 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 -1.3037 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 2.2741 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3306 0.3469 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3592 -1.9515 0.3682 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