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
   -2.5471   -0.4282    0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779   -0.5213   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336   -0.2810   -0.3233 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969   -1.2323   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4194   -2.3780    0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8639   -0.6156   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6181    0.8273   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    1.7343    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    1.0156   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3598    2.1332   -0.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146   -0.6330    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    0.5467    1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0463   -1.1870    1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119    0.1466   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -1.5726   -0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   -1.0067   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992   -0.7403   -1.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    2.7578    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382    1.4347    0.2045 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