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
   -2.4265    0.9556    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912    0.3624    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.0986   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595   -1.2587    0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -2.3450    0.5189 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0467   -0.0255   -0.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373    0.9684   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    2.2204   -0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.1985   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187    0.3723    0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4813    2.0109    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361   -1.2880   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210   -1.7203    0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193    0.0156   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    1.1975    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.5654    0.4888 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