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
   -2.6741    0.6812    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -0.3539   -0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632   -0.3387   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.0777    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259   -1.6760    1.8265 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307   -1.0283    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8245    0.2226   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    0.9448   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570    0.4663   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328    1.2850   -1.6665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    1.6912    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061    0.3228    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6975    0.6335   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9011   -0.0652   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -1.3203   -0.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -0.9605    1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9425   -1.9295    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851    0.6549    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749    1.8477   -0.6469 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