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
    2.8631    1.3922    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    0.5025   -0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    0.0584   -0.5345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246    0.5670    0.4701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    0.2422    0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    0.8759    1.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -0.7377   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611   -1.6041   -1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766   -0.9038   -1.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143   -1.1498   -2.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.7751    0.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835    1.7095    0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    0.1127   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8063    0.9128    1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    0.3783    2.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.9476    1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2645   -1.4092    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -0.2106   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211   -1.9613   -1.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.4978   -0.3940 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