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
   -2.5707   -0.0799    0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -0.4212   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -0.2651   -0.4044 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077   -1.2764    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -2.4011    0.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   -0.8111   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716    0.6494   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776    1.4881   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657    0.9237   -0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    2.0438   -1.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8507   -0.4076    1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462    1.0367    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5742   -0.5165    0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837   -1.4932   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526    0.1786   -1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -1.1545    0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914   -1.1906   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    1.1330   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517    2.5639   -0.3352 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