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
   -2.4388   -0.8365   -0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762   -0.3716   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783    0.9670    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186    1.2503    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165    2.3678    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233    0.0312   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432   -0.9810   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -2.2174   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -0.1447    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428   -0.2690   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -1.7980   -1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    1.7043    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302    0.8084    1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -0.3958    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128    0.8400   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -0.9550   -0.6801 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