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
    3.5794    0.7609    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    0.4764    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600    0.1595    0.0996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843    0.9506    0.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2967    0.5185    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    1.5304   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -0.8807    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5773   -1.8500   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -1.2703    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -2.0094    0.5725 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3822   -0.0836    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0913    1.7206   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    1.8512    0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2695    2.2824    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2462    2.0523   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    1.0388   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311   -1.1332   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2405   -1.0564    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7471   -2.7018    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785   -2.3563   -0.9963 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