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
    2.6185    1.8272   -0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460    0.5327   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498    0.0005   -0.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0134    0.8038   -0.0970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    0.3285    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746    1.2600    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218   -1.1166    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300   -1.8417    0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656   -1.4014   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528   -2.1731   -0.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    2.2297   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    2.4761   -0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994   -0.1345   -0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512    2.3140    0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717    1.1156   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9064    1.0950    1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564   -1.3922    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934   -1.4509   -1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -1.5324    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578   -2.9401    0.5588 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