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
    2.6783   -0.1661   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643    0.5018    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4535    0.2845    0.2953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792    1.1530   -0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281    2.0290   -1.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7963    0.8940   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674   -0.5328    0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674   -1.3876    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950   -0.7372    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0184   -1.6944    1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    0.3408   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8281   -1.2408   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536    0.0077   -1.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861    0.0526    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357    1.5831    0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    0.8999   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742    1.5066    0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6234   -2.3861    0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381   -1.1080   -0.0376 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