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
   -2.2669    1.2829    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331    0.4898    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058   -0.9588   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -1.0805   -0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -1.8329   -1.6558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.1600   -0.0385 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375    0.8317    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664    1.8228    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -0.1879    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557    2.3181    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2423    0.9206   -0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045   -1.5356    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -1.1882   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048   -1.1700   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714   -0.1398    1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402    0.5878   -0.5421 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