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
   -2.7018   -0.0544   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7349    0.8861    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779    0.3640    0.3059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220   -0.4744    1.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -0.5857    2.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634   -1.1440    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.0890   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472    0.1511   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940    0.6219   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424    1.3197   -1.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884    0.4568   -1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3463   -0.5830    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -0.8432   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202    1.0494    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7699    1.8832   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470   -1.4711    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293   -1.9737    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435   -0.4701   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086    0.9562   -1.4480 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