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
   -2.7114    0.5737   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8924   -0.6611    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651   -0.3938    0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -0.5486   -1.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1220   -0.6924   -2.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622   -0.5175   -0.8356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.1960    0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    0.7998    1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.0523    1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859    0.3019    2.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4796    0.3727   -1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1734    0.9950    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108    1.3403   -0.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -0.9615    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808   -1.4374   -0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.5439   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.0384   -1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133    1.2755    1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458    0.8107    0.5241 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