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
    2.9561   -1.1208    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220    0.0517    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    0.2348    0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109   -0.8129    0.1814 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0374   -0.6182   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385   -1.7249    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002    0.6758   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427    1.8382   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585    1.4970   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    2.2607   -1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045   -1.9574    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -1.2960    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088    0.8599    0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -2.0224   -0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451   -2.6314    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388   -1.4172    0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467    0.6587   -1.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554    0.8045   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8287    1.9774    1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979    2.7423   -0.5966 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