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
    3.0111    0.9565    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830   -0.2100    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913   -0.3504    0.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    0.7757    0.2096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670    0.6738    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806    1.9308    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -0.5599   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.7091   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381   -1.6119   -0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244   -2.6421   -0.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0829    1.0517    0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4429    1.8654    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024   -1.0812    0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643    2.8057    0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    2.0371   -0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4678    1.7371    1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442   -0.3222   -1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3027   -0.8435    0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756   -1.8336   -1.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691   -2.6698   -0.2425 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