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
   -2.6309    0.2320    0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661    0.4433   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    0.0363   -0.2947 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1027   -1.2159   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800   -2.2606   -0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -1.1191   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308    0.1370    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045    0.4729    0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5862    0.8884    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101    2.1089    0.4756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833   -0.1029    0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138   -0.5106    1.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    1.1730    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844    1.5209   -0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -0.0671   -1.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -1.9844   -0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185   -1.0167   -1.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862   -0.1367    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931    1.4012    1.0543 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