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
   -2.6617    0.1573   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8251   -0.7066    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672   -0.2670    0.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0896    0.6642    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4376    1.1850    2.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    0.9757    0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.0761   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -0.3350   -0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594   -0.7302   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4647   -1.5685   -1.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0529    0.3963   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650   -0.4368   -0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088    1.0742   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2714   -0.7183    1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002   -1.7491   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    1.0177    1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112    1.9970    0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125   -1.1181   -1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681    0.2385   -0.3039 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