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
    2.9855    1.1254    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -0.0805    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304   -0.2686   -0.0731 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178    0.8031    0.0437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0354    0.6363   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0063    1.7760   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025   -0.6623   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754   -1.8094   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372   -1.5631   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -2.3903   -0.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864    1.9666    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327    1.3155    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2289   -0.8732    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8007    1.6530   -0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096    1.7175    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001    2.7514   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663   -0.7591   -0.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492   -0.7001   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -2.7364   -0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624   -1.9018    1.0955 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