Monomers

1-Ethyl-3-methylidenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-ethyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h2-4H2,1H3
InchI Key
BMZZOWWYEBTMBX-UHFFFAOYSA-N
SMILES
CCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.6127    0.5159   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.7915    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233   -0.4270   -0.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -0.3896   -1.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597   -0.2874   -2.4353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446   -0.4957   -0.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362    0.2340    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6638    0.9828    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4394   -0.0393    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909    0.0334    2.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    1.2297    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664    0.2292   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.9518   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0256   -1.2467    1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -1.4351   -0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354   -0.0698   -1.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -1.5623   -0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098    1.4477    1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5922    1.1198    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  7  9  1  0
  9 10  2  0
  9  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers