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
   -2.3156    1.2243    0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463    0.4889   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633   -0.9881   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059   -1.2514    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614   -2.2827    0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -0.1441   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    0.9381   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193    2.1272   -0.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -0.1163   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909    2.2916    0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2744    0.7466    0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -1.2463   -1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -1.5206    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    0.3094    0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -1.1384   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630    0.5618   -0.9293 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