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
    2.7299    0.1747    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916   -0.8165   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079   -0.4514   -0.1189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4113   -0.8797    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -1.4075    2.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -0.5946    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525    0.5334   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6479    1.4528   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210    0.4111   -0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    0.9890   -1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621   -0.3253    0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1336    0.7925    0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259    0.9167   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -0.8218   -1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -1.8119    0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308   -0.3465    1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2293   -1.4793    0.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993    1.4608   -0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4329    2.2033   -1.3036 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