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
    2.5045   -0.4782   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    0.3309    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    0.1292    0.3139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -0.8921    1.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3525   -1.6163    1.8944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.9114    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    0.4110   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974    1.0274   -0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357    0.9347   -0.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802    1.9408   -1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038   -0.3925   -0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1660   -1.5359   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -0.1530   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196    1.4012    0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696   -0.1049    1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863   -1.7578   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2982   -0.9614    1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    1.9858   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864    0.6424   -0.2323 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