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
   -2.4798   -0.8804    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -0.2661    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191    1.1890    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    1.2174   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8856    2.1224   -1.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    0.0058   -0.0916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022   -0.9161    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442   -2.1215    0.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -0.2965   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3770   -0.2909   -0.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.9520    0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9020    1.5734    1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278    1.7809   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -0.1291    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6488   -1.3540   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    0.3177   -0.8173 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