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
    2.8961    1.4009    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    0.2171   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -0.1402   -0.2404 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2018    0.7367    0.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255    0.4428    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646    1.4168    1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699   -0.8572    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7556   -1.6062   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -1.3988   -0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4663   -2.3458   -0.8311 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9268    1.7055   -0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    2.0915    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1816   -0.4904   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539    1.1777    2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250    2.4304    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9303    1.3192    0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -1.4558    0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171   -0.6916   -0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -2.6846   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674   -1.2677   -1.9653 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