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
    2.6428    1.6385    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    0.3583    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0885   -0.0895    0.3932 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    0.7896    0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    0.4237   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    1.4957   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5347   -0.9862   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677   -1.9221   -0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -1.4867    0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843   -2.2583    1.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796    2.3264    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    1.9954    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1859   -0.3544    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    1.3619   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384    1.4498   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    2.5002   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9271   -1.1867    0.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3035   -1.1767   -1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618   -1.9262   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -2.9528   -0.1387 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