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
   -2.3355   -1.1460    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2710   -0.1933    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313    1.0932   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    1.9199   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972    1.4954   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406    2.2319   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    0.2230   -0.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173   -0.5694    0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546   -0.2305   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534   -1.4626    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -1.8966   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -1.7220    1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124   -0.5704    1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679    1.4099   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    2.9373   -0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134    0.4303   -0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614   -1.8238   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8829   -2.1264    0.3667 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