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
   -2.4724    0.7700   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844    0.2436   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635   -1.1782    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -1.2601    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -2.3451   -0.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965    0.0655    0.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0546    1.0088    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    2.2398    0.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    0.3990    0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434    1.8294   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487    0.1402   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853   -1.5747    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4243   -1.8237   -0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -0.2459    0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9357    0.2420   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    1.4895    0.4029 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