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
    2.7178   -0.3471    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    0.1090   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288    0.1654   -0.3536 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    1.3038    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782    2.3162    0.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6859    1.1381    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -0.3383    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700   -1.0856    0.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -0.8643   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -2.0053   -0.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339   -0.4821   -0.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649    0.4378    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344   -1.2944    0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    1.1438   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -0.4976   -1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    1.5385   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1805    1.5760    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8531   -2.1615    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895   -0.6523    0.7876 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