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
    2.7284   -0.0854   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5791   -0.8840   -0.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3072   -0.4051   -0.2484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.9067    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -1.4905    1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7543   -0.5868    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    0.7051    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309    1.7144    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    0.5913   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3413    1.2529   -1.8613 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    0.3154    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799    0.7913   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281   -0.7345   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -1.9380   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308   -0.8061   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2442   -0.4568    1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.3247    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    2.6070   -0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409    1.6410    0.9100 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