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
    3.0190   -0.8945    0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    0.2515    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    0.3925   -0.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -0.7049    0.1925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732   -0.6854    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085   -1.9444    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.4937   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    1.7664   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182    1.5858   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.4924   -0.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772   -1.0220    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3995   -1.7601    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414    1.1110    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342   -2.7823    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6981    1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055   -2.2173   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282    0.3402   -1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.6091    0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    2.2253    0.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329    2.4411   -1.1574 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