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
    3.1844    0.4912    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -0.5965   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -0.5070   -0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    0.7086    0.1377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717    0.8292    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5186    2.1836    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510   -0.3537    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1319   -1.5330   -0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2811   -1.7254   -0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7544   -2.8466    0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6797    1.4306    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586    0.3926    0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -1.5594   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    2.2083    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2332    2.3930   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7556    2.9566    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107   -0.6657    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   -0.0484   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155   -1.3377   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452   -2.4204   -0.3636 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