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
    2.4847    2.0159   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269    0.8054   -0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048    0.1413   -0.2982 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303    0.7309    0.4118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678    0.0863    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1540    0.8156    1.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -1.2895    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -1.5550   -1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -1.1724   -0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443   -1.9743   -0.9779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    2.5639    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239    2.5183   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    0.3455   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9929    1.9110    1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067    0.5274    0.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282    0.4391    2.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -1.4533   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173   -1.9814    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953   -0.8636   -1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543   -2.6111   -1.4596 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