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
   -2.4873   -0.8497    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2823   -0.2802    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    1.1490   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189    1.1699   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    2.1416   -0.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210   -0.0757   -0.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -0.9790    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -2.1709    0.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -0.2915   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732   -0.2453    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -1.8977    0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1490    1.7090    0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981    1.5884   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8928    0.2644    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252   -1.3645   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270    0.1323   -1.0518 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