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
   -2.6052   -0.6371    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8363   -0.2749   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4684    0.0760   -0.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    1.3731   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.3979    0.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.3457   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -0.0738    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881   -0.5783    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -0.8221   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -2.0755   -0.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0353   -1.2662    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9130    0.2856    1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5341   -1.1662    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3843    0.5290   -1.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383   -1.1904   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849    2.0141    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608    1.6124   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1466   -1.6339    0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145    0.0846    0.6175 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