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
    2.7023   -0.6240   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782    0.2382    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719    0.2385    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    1.1604   -0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4779    2.0386   -1.2371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5753    0.9679   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.2303    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0246   -0.8240    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.6014    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -1.5400    1.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6178   -1.7146    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202   -0.5580   -1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7724   -0.2934   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0030   -0.1248    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    1.2717    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    1.8856   -0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    0.8704   -1.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670   -1.7110    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067   -0.4500   -0.1310 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