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
    2.8994   -0.5654    1.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    0.1066    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281    0.2059   -0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1206   -0.4226    0.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315   -0.3453    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869   -1.0807    1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403    0.3985   -0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    0.9096   -1.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525    0.9594   -1.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    1.6854   -1.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495   -0.6017    1.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608   -1.1208    2.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    0.6205   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.5248    2.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -2.0487    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483   -1.3665    0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -0.2902   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073    1.2317   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    1.9392   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.3099   -2.6735 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