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
    3.0836    1.0439    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470   -0.1511    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440   -0.3193   -0.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2575    0.7629   -0.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    0.6749   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986    1.8840   -0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964   -0.6342   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472   -1.7602    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.6205   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324   -2.5815   -0.5590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549    1.9321    0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    1.2008    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902   -1.0033    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228    1.7597   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    2.8111   -0.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    1.9104    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -0.8267   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585   -0.5448    0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -1.8391    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423   -2.6992   -0.0804 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