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
    2.8415    1.4542   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    0.1912   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -0.1564   -0.1254 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    0.7627   -0.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538    0.4576   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1781    1.5552   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611   -0.9558    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -1.7242    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719   -1.5427    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526   -2.4713   -0.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638    2.1979   -0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594    1.8019   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769   -0.5819   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242    2.2037    0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    2.1654   -1.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1849    1.1102   -0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523   -1.0537    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.3317   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4142   -1.2800    1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583   -2.8024    0.9042 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