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
    3.0605    0.9405   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257   -0.1961    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198   -0.3385    0.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717    0.7205   -0.3013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    0.6132   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986    1.7999   -0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252   -0.6220    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8867   -1.5398    0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242   -1.5819    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -2.6743    0.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.7624   -0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    1.0413   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255   -1.0300    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5178    1.5828   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1416    2.6344   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3263    2.1626    0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457   -0.3920    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0474   -1.2123   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544   -2.5454    0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9048   -1.1252    1.9194 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