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
    2.6427   -0.1917   -0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731   -0.1823    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393   -0.1361    0.5032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -1.2762    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808   -2.4648    0.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273   -0.8052   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442    0.5889    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742    1.2772    0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734    1.0329    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0024    2.2442    0.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    0.6857   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2909   -1.1020   -0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   -0.1796   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268   -1.1117    1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    0.6962    1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -0.7761   -1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124   -1.4177   -0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8411    0.8425    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8235    2.2758    0.7412 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