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
    3.6115    0.4518   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4037    0.2879   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0568    0.1052   -0.3215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    0.8873   -0.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    0.5834   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    1.4933   -0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -0.6641    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6485   -1.7410    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401   -1.1311    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981   -1.5910    1.1768 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342    1.2314   -1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589   -0.3649   -0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1781    1.5642   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723    1.5055   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194    2.4972   -1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8703    0.9968   -1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449   -0.4158    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -0.9583   -0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -2.5523    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380   -2.1856   -0.9262 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