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
   -2.4583    0.8950   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643    0.2799   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -1.1545    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3580   -1.1215    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8274   -1.9756    1.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0108    0.0239    0.1075 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    0.9046   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.0229   -1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    0.2449    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3474    0.3043   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    1.9303   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -1.7279   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -1.5905    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846   -0.0581    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.3287    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473   -0.3063   -0.7185 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