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
   -2.6413    0.4653   -0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638   -0.4802    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4594   -0.3410    0.2148 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -1.0899   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1658   -1.7391   -1.7378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -0.9866   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.3647    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7834    1.2003    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.5682    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2095    1.4178    1.7476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9590    1.1792   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1496   -0.0952   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426    1.0713    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229   -0.2676    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -1.4881    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840   -1.0591   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104   -1.7842    0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954    0.9069   -0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    2.1574    0.7405 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