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
    2.9819   -0.1031    1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -0.9498    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -0.6781    0.0732 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    0.5291    0.4934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.8457    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905    2.1379    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7137   -0.0116   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.1142   -1.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -1.5928   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262   -2.7798   -0.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759    0.8423    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -0.3040    1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502   -1.8640    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    2.1194    1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3254    2.4206    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712    2.9846    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961   -0.4311    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2732    0.6635   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024   -1.9863   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543   -0.7284   -2.3590 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