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
-2.7697 1.6069 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4520 0.4810 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 -0.0331 -0.3253 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1906 0.6463 0.4031 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0133 0.2812 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9539 1.1471 1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 -0.9745 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7217 -1.5517 -1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7363 -1.2539 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5793 -2.0632 -1.3158 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7690 1.9814 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 2.1571 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1695 -0.0743 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6662 0.4476 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3043 1.6606 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5084 1.8331 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7318 -1.7440 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5545 -0.7501 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8288 -2.6499 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0479 -1.1475 -2.1051 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