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
    2.5658    1.6450   -0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441    0.4344   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456   -0.0529   -0.1645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    0.6702   -0.3386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2131    0.2756   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    1.2211   -0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468   -1.0846    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -1.5539    1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9646   -1.3873    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -2.2918    0.0958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    2.2802   -1.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5402    2.0280   -1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198   -0.1653   -0.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167    1.1096    0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649    2.2471   -0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7340    1.0265   -1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840   -1.7539   -0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844   -1.1708    1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -0.8681    2.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823   -2.6091    1.5231 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