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
   -2.4190   -0.9180   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -0.3083   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    1.1091   -0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5001    1.1871   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    2.1473   -0.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    0.0227    0.2756 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0576   -0.8940    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850   -2.0434    0.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212   -0.1975    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2890   -0.4162   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591   -1.9926   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    1.7721    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    1.3890   -1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -0.0201    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0984    0.4491    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.2863    0.4861 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