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
    2.8310   -1.5413   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5242   -0.2628   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.1168   -0.1197 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1278   -0.7645    0.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -0.5044    0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1142   -1.5788    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532    0.8973    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022    1.9081   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285    1.5140   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878    2.3861    0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8553   -1.8758   -0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237   -2.2583   -0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    0.4575   -0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920   -1.2279   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -2.5113   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896   -1.7905    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5197    0.9731   -0.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464    1.1449    1.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436    2.0648   -1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487    2.8532    0.3313 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