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
   -2.6920   -0.1539    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7936   -0.1496   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.0567   -0.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585    1.3254   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    2.4205   -0.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    1.1110    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977   -0.3045    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -0.9052    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -0.9795   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3087   -2.2182   -0.1074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3061    0.5973    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921   -1.1839    0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213    0.1325    0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659    0.6659   -1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -1.1181   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    1.8009    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    1.1781    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384   -1.9332   -0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -0.3422    0.3683 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