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
   -2.5049   -0.6857    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -0.1734    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352    1.2682    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    1.2155   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    2.1847   -0.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029   -0.0955   -0.0692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -0.9661    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -2.2125    0.4413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -0.4950   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6461   -1.7399   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445   -0.0248   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440    1.8831   -0.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    1.6210    1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742   -1.4116    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738   -0.6784   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093    0.3104    0.4083 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