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
   -2.4095   -1.0604   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959   -0.3565    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    1.0814   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3489    1.0592   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869    1.8017   -1.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.0357    0.0629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -0.8379    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.8702    1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518   -0.0839    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719   -2.0928    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2893   -0.5577   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    1.4296   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    1.7313    0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821   -0.4462    1.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259    0.9187    0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -0.7520   -0.4497 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