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
    3.0855    1.0249    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.1231   -0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305   -0.0892   -0.4269 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748    0.6495    0.4847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667    0.4368    0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7231    1.2643    1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7151   -0.5464   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -1.6033   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433   -1.0881   -1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0294   -1.5156   -2.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453    1.1925    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    1.6031    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0199   -0.4490   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    1.3933    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410    0.7882    2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2344    2.2724    1.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773   -1.0054    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469    0.0160   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3823   -1.9855   -1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293   -2.4816   -0.1541 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