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
   -2.4525    0.9982   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973    0.3693   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769   -1.1051    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445   -1.2051    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525   -2.1715    1.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446   -0.0536    0.0142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    0.8933   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121    2.0631   -0.7765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031    0.1304   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5090    2.0600   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3713    0.4678    0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -1.6835   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.4018    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964   -0.1904    0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    1.2408   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379   -0.4121   -0.9100 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