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
   -2.6893   -0.1725    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    0.4430   -0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    0.1504   -0.4159 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994   -0.9744   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -1.6738   -1.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288   -1.1506   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    0.2668    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    0.8335    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    0.9254    0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189    1.9980    0.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0155   -0.6462    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2682    0.6066    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110   -0.9876    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    1.5348   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973    0.0543   -1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315   -1.6630   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -1.6705    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595    1.8730    0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.2527    0.4138 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