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
   -2.8736    1.5655    0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365    0.5338   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1159    0.0814   -0.3007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0605    0.6690    0.4046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    0.2805    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    1.0070    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5769   -0.8612   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4628   -1.8357   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358   -1.0532   -1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.3399   -2.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    1.9047    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1629    2.1161    1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1850    0.0028   -0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9029    2.0806    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    0.9360    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1783    0.6280    2.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -0.4841   -1.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085   -1.3274   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -2.2543    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653   -2.6496   -1.3136 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