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
    2.7385    1.7895    0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685    0.5005    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566    0.0220    0.3754 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502    0.8328    0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.3791   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.3879   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -1.0335    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489   -1.9701    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -1.3902    0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9063   -2.1518    0.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    2.1601    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497    2.4849    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891   -0.1765    0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840    2.0358   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1736    0.9039   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    1.9144    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704   -1.1273    0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -1.2842   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -2.8685   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450   -2.4087    1.4614 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