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
    2.6918    0.2372    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170    0.2120   -0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -0.0655   -0.4150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -1.3253   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -2.4257   -0.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.1051   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    0.2363    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186    0.7296    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5568    0.9098   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    2.1775   -0.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113   -0.4067    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -0.0796    0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7744    1.2764    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799    1.2243   -1.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282   -0.5493   -1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536   -1.8347    0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726   -1.0944   -1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154    0.1516    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299    1.7316    1.2764 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