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
    3.1812    0.1983    0.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -0.6589   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464   -0.4682   -0.1912 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    0.6022    0.3296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8949    0.8368    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561    2.0211    0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397   -0.1064   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657   -1.4823   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -1.4313   -0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765   -2.1776   -1.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876    1.0586    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    0.0235    0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439   -1.5158   -0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488    2.6022    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634    1.7371    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    2.6855   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7504   -0.1747   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    0.3143   -1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -2.0857    0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637   -1.9789   -1.5329 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