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
   -2.6349    0.0144   -0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477   -0.1419    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267    0.0423    0.4690 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3033    1.2715    0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0155    2.2818    1.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4572    1.0658   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -0.3530   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383   -0.9653   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4781   -0.9900    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191   -2.2260   -0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -0.5169   -0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9981   -0.4898   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7401    1.0667   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0255   -1.1543    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    0.6672    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0744    1.1021   -1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920    1.7541   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107   -2.0063    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8531   -0.4224   -0.2858 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