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
Resources
cid=

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