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
    2.4191   -1.1092   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -0.1674   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446    1.1864   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661    2.0192    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    1.4977    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7341    2.3342    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0265    0.1739    0.1217 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -0.6090   -0.0796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407   -0.3318    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   -1.6239    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -1.4316    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -0.6480   -1.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933   -1.9726   -1.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    1.5790   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    3.0789    0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566    0.3553    0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921   -2.0366    0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7753   -2.2944    0.0749 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