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
   -2.6827    0.3756   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035    0.2018    0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -0.1000    0.4297 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1227   -1.3788    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4847   -2.4606    0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365   -1.2170   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970    0.2370   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283    0.8514   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484    0.8897    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    2.1294    0.3026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077    1.4604   -0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986   -0.1559   -1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715   -0.0542   -0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479   -0.6302    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214    1.1124    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -1.7768    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489   -1.6659   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888    0.2605   -0.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    1.9212   -0.4441 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