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
2.8631 1.3922 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 0.5025 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 0.0584 -0.5345 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2246 0.5670 0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9948 0.2422 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 0.8759 1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6570 -0.7377 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -1.6041 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 -0.9038 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0143 -1.1498 -2.5119 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2172 1.7751 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8835 1.7095 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0136 0.1127 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8063 0.9128 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4131 0.3783 2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3897 1.9476 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 -1.4092 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 -0.2106 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3211 -1.9613 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 -2.4978 -0.3940 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