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
    3.0755    1.0261   -0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411   -0.1244   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.2905   -0.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2958    0.6931    0.2039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325    0.5836    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    1.7422    1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525   -0.6840    0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432   -1.5312   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -1.5406   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -2.6261   -0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    1.8588   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    1.1119   -0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9683   -0.9643   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008    2.6824    1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373    1.5902    2.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407    1.8947    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859   -1.2669    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7143   -0.4809    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -1.1134   -1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353   -2.5608   -0.6963 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