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
   -2.4292   -1.0261    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.3716    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812    1.1092    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    1.2675   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    2.3617   -0.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    0.0343   -0.0893 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -0.9654    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -2.1627    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -0.1427   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -2.0912    0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -0.5259    0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798    1.5017   -0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539    1.5614    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -1.2217   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    0.3552    0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746    0.3164   -1.0939 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