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
   -0.8639    2.5918   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668    1.8542   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    0.4858   -0.2831 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558    0.0461    0.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    0.7214    1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8847   -1.4344    1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -1.8314   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468   -3.0602   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -0.6344   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1675   -0.6377   -1.7947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652    2.8565   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    1.9552    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4538    3.4833    0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    1.8919   -1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    2.3814   -0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8850   -1.8801    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -1.6891    2.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663   -3.2146   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2776   -3.8855    0.4417 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