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
   -2.6699    0.5490    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745   -0.7395    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615   -0.4251   -0.1166 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -0.2886   -1.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969   -0.6150   -2.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    0.2925   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    0.0912    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.1532    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463   -0.1996    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -0.2418    2.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6376    0.4544   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402    1.3494   -0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012    0.8214    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.3742   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9875   -1.3048    0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    1.3678   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -0.2507   -1.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219    0.3743    0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238   -0.0138    2.1391 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