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
    2.6507   -1.7341    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.7693    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312   -0.2382   -0.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167   -0.6433    0.5832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -0.1641    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854   -0.6602    1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4233    0.8888   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877    1.7409   -0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479    0.8196   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    0.9443   -2.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938   -2.1075    1.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491   -2.1448    1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -0.3976   -0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -1.3369    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1023   -1.1174    2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    0.2266    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    0.4782   -1.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167    1.5114   -0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    2.3219    0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217    2.3814   -1.6231 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