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
   -2.5564    0.5419   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3254    0.1580   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9367   -1.1310    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256   -1.1886    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -2.1971    0.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398    0.0796   -0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918    0.8972   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230    2.1164   -0.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493    0.4806   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3968   -0.1005   -0.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7586    1.5042   -0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625   -1.9912    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529   -1.0491    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    0.4644    0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9962   -0.1245   -0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    1.5395   -0.4429 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