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
   -2.3959   -1.0106   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -0.3340   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975    1.0932    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401    1.0752    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6497    1.8313    1.6567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447    0.0364    0.1585 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037   -0.8310   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -1.8793   -1.1179 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884   -0.1071    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472   -0.5274   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   -2.0460   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8858    1.4492    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738    1.6841   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816   -0.0216   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791    0.7058    0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7899   -1.1182    0.5811 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