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
   -0.6417   -3.6481   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298   -2.3143   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0561   -1.1429   -0.0429 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143   -0.1323    0.9656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2575    1.1206    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2620    1.9010    2.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877    1.8619   -0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    0.9459   -1.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.3997   -1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7845   -1.2073   -2.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631   -4.0518   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315   -4.3143    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386   -2.5726    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    2.1704    2.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2258    2.9103    1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811    1.4635    2.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744    2.2554   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394    2.7211   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078    1.3446   -2.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173    1.0885   -1.7615 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