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
   -2.6737    0.5672    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8941   -0.0328   -0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4894   -0.1339   -0.2339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967   -1.2838    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037   -2.2954    0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515   -1.1423    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8454    0.2395   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215    0.8147   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609    0.7918   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322    1.9149   -1.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7497    0.3936    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002    1.6589    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4177    0.0910    1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132   -1.0379   -0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590    0.6084   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9859   -1.9044   -0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -1.3614    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8857    0.2746    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054    1.8374   -0.3193 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