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
   -2.5696    0.2967    0.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090    0.2163   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080   -0.1108   -0.3844 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051   -1.3818   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589   -2.4886   -0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515   -1.1887   -0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    0.2669   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474    0.8361    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995    0.9138   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    2.1667   -0.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    0.4604    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3267    1.1236    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -0.6836    0.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263   -0.5622   -1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783    1.2009   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359   -1.6383   -0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -1.6588    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    0.3026    0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    1.9285    0.1472 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