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
    2.8210   -1.5861   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -0.7493    0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -0.2262    0.6573 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -0.5578   -0.4488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931   -0.0955   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -0.5269   -1.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    0.8287    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967    1.6244    1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.6878    1.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794    0.6576    2.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -1.9898    0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085   -1.9194   -0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470   -0.4593    1.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -0.0444   -2.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439   -0.2375   -1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447   -1.6097   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981    1.4734   -0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1580    0.2040    1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0770    2.2819    0.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299    2.2439    1.8687 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