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
    3.5976   -0.1165    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729   -0.1467    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106   -0.1801   -0.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    0.7692   -0.5445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    0.6637   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8532    1.8461   -1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292   -0.5787   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0637   -1.2565    0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293   -1.4230    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565   -2.4913    0.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045   -1.0282    0.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3233    0.6483    0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    1.1381   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6596    2.0518   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    1.6189   -2.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645    2.7190   -1.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079   -1.2816   -1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -0.2557    0.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -0.5176    1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289   -2.1792    1.1447 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