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
    2.7294    0.4249    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964   -0.6962   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082   -0.3198   -0.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063    0.2435   -1.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0419    0.6451   -2.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076    0.2599   -0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548   -0.0006    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6907    0.1459    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043   -0.4732    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095   -0.9441    1.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475    1.2635    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428    0.7798   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    0.0892    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9677   -1.5591    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295   -1.0800   -1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    1.2727   -1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467   -0.4644   -1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -0.0866    2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712    0.4994    1.2245 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