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
    2.9905    0.9760    0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    0.0186    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091   -0.1977   -0.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    0.6083    0.5394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0635    0.4345    0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068    1.3567    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -0.6293   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222   -1.2174   -1.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -1.2779   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -2.2129   -1.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554    1.6865    1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0600    1.0837    0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810   -0.6484   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9714    1.4096    0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181    2.3439    1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1910    0.8935    2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424   -1.4506    0.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217   -0.3355   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7766   -0.5946   -2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -2.2471   -1.7269 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