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
    2.4421   -0.9577    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067   -0.3340    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0738    1.1192   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932    1.2475    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450    2.3157    0.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0380    0.0081   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -0.9622   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   -2.1989   -0.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695   -0.2150   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566   -2.0296    0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813   -0.4428    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    1.7419    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    1.4574   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8217   -1.0280    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7356   -0.4194   -1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9993    0.6978    0.1206 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