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
    2.6285   -0.4389   -0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -0.1895    0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607    0.0767    0.4488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    1.3388    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    2.4557    0.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872    1.1404   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247   -0.1939   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0526   -0.6858   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -0.8699    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4953   -2.1113    0.4543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -0.9865   -1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -1.0667   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959    0.4773   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464    0.7462    1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9047   -0.9800    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140    1.9342   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060    1.1247   -1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2405   -1.6711    0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8914   -0.1005   -0.4020 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