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
    2.7810   -0.5794    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829   -0.0843    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769    1.0171   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2820    1.5083   -1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676    0.8237   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    1.3032   -1.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -0.2368    0.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -0.6728    0.5862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -0.9323    0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -0.7144    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029    0.0537    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -1.6443    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4697   -0.6156   -0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    1.4754   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718    2.3619   -1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -1.7339    1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380    0.0008   -0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0489   -1.3305    0.5143 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