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
   -2.3224    1.2284   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    0.4652   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -0.9899    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680   -1.1904    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834   -2.1564    1.2958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327   -0.1455   -0.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    0.8725   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801    1.9837   -0.9735 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -0.1073   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920    2.2845   -0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872    0.8150    0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8442   -1.2707    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878   -1.5821   -0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343    0.9383   -0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9926   -0.5111    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7494   -0.6342   -1.0852 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