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
    3.0211    1.2542   -0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5445    0.0444   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412   -0.1961   -0.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1816    0.7886    0.1353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    0.5596    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0702    1.6569    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.7992    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7369   -1.6765   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -1.5399   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -2.5028    0.2221 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    2.0850    0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.4436   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2349   -0.7780   -0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457    1.4807    1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    1.5854   -0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727    2.6463    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397   -1.1715    1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6649   -0.8417   -0.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7272   -1.2995   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662   -2.7395   -0.6126 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