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
   -2.6292    0.9031   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8976   -0.3998   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -0.2914   -0.1159 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.1456   -1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614    0.2235   -2.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -0.4979   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018   -0.1547    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    0.2107    1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -0.2980    0.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949   -0.4112    2.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319    1.7356   -0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196    0.7743   -0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    1.1237    1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -0.9179   -1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380   -1.0354    0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507    0.0625   -1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119   -1.6052   -1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.2967    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    0.4270    2.2511 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