Monomers

1-Methyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
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

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4946    0.8411    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    0.2413    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016   -1.1973   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264   -1.2218   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950   -2.1974   -0.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272    0.0009   -0.0905 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    0.8985    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1769    2.1035    0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.3452   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4068    0.2655    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126    1.9083    0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581   -1.6672    0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572   -1.7135   -0.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792    1.1155   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400    0.8298    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0643   -0.5523   -0.1867 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers