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
    3.0830    1.0622   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226   -0.0835   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.2668    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2506    0.7965   -0.1386 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369    0.6496    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9077    1.8540   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946   -0.6128    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536   -1.8341    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249   -1.5441    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -2.5139    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    1.1377   -0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4697    1.9279   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1925   -0.9498   -0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673    1.9020    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381    1.8385   -1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851    2.7776   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857   -0.5130    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -0.7307   -0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1186   -2.5715    1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102   -2.3260   -0.7171 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