Monomers
6-Methyl-2-vinyl-4,5-dihydropyridazin-3(2H)-one
Identifiers
IUPAC name
2-ethenyl-6-methyl-4,5-dihydropyridazin-3-one
InchI
InChI=1S/C7H10N2O/c1-3-9-7(10)5-4-6(2)8-9/h3H,1,4-5H2,2H3
InchI Key
KAYCKJPWSBHULR-UHFFFAOYSA-N
SMILES
C=CN1N=C(C)CCC1=O
Canonical SMILES
CC1=NN(C(=O)CC1)C=C
Isomeric SMILES
CC1=NN(C(=O)CC1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10N2O
Heavy Atom Count
10
Molecular Weight
138.17
Exact Molecular Weight
138.0793
Valence Electrons
54
Radical Electrons
0
tPSA
32.67
MolLogP
1.1282
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
20 20 0 0 0 0 0 0 0 0999 V2000
3.1488 0.7993 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4474 -0.2632 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0618 -0.3609 -0.3398 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3606 0.6692 0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 0.6513 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 1.8273 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7125 -0.5310 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 -1.4619 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3528 -1.5310 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8902 -2.6394 -0.9042 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6705 1.6344 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1914 0.8570 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9570 -1.0938 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1877 2.3787 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8156 2.5077 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1689 1.4173 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7419 -0.1899 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8680 -1.1142 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5746 -2.4801 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4403 -1.0767 -1.7698 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
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
8 19 1 0
8 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers