Monomers

2-Ethenyl-6-methylpyridazin-3(2H)-one

Identifiers

IUPAC name
2-ethenyl-6-methylpyridazin-3-one
InchI
InChI=1S/C7H8N2O/c1-3-9-7(10)5-4-6(2)8-9/h3-5H,1H2,2H3
InchI Key
XDGWZXLOJQQYPH-UHFFFAOYSA-N
SMILES
Cc1ccc(=O)n(n1)C=C
Canonical SMILES
CC1=NN(C(=O)C=C1)C=C
Isomeric SMILES
CC1=NN(C(=O)C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8N2O
Heavy Atom Count
10
Molecular Weight
136.154
Exact Molecular Weight
136.0637
Valence Electrons
52
Radical Electrons
0
tPSA
34.89
MolLogP
0.6522
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.4722   -0.6123    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    0.0930    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216    1.4748    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412    2.0860    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474    1.3335   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432    1.8502   -0.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039   -0.0307   -0.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394   -0.5882    0.0302 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -0.7784   -0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781   -2.0936   -0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2548   -0.3530    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8737   -0.2495    1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2648   -1.6978    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888    2.0549    0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549    3.1633    0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -0.2956   -1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705   -2.6312   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046   -2.7253   -1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  3
  8  2  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers