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
    2.5738    0.8229   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8946   -0.4954    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -0.3602   -0.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -0.5693   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361   -0.6152   -2.4173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7219   -0.7379   -0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475    0.0170    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7806    0.5998    0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4107    0.0037    1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    0.2670    2.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412    1.6562    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    1.1262   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    0.7530    0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.7508    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -1.2446   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188   -1.8111   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4074   -0.3257   -1.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7273    0.5532    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.1114    1.9297 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