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
    2.2558   -0.3648   -2.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -0.7424   -2.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563   -0.4151   -1.0557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018    0.3116    0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    0.6022    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825    1.3868    2.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885    0.2204    1.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -0.6989    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0807   -0.8350   -0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -1.3556   -1.9446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021   -0.6223   -3.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    0.2043   -1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -1.3080   -3.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073    2.0148    1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    0.7146    2.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416    2.0953    2.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   -0.2197    2.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9275    1.1507    1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -1.7277    0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175   -0.4110   -0.0294 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