Monomers

1-Buta-1,3-dienylpyrrolidine-2,5-dione

Identifiers

IUPAC name
1-buta-1,3-dienylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3,6H,1,4-5H2
InchI Key
RWLJMKQXDUTHCU-UHFFFAOYSA-N
SMILES
C=CC=CN1C(=O)CCC1=O
Canonical SMILES
C=CC=CN1C(=O)CCC1=O
Isomeric SMILES
C=CC=CN1C(=O)CCC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.8351
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

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.0472    0.3432   -0.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -0.3926   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877    0.0295   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -0.7040    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705   -0.2921    0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239    0.9156    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623    1.9232    0.9681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859    0.6490    0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -0.1177   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941   -1.0027   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305   -2.1501   -1.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273    1.2829   -1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0794   -0.0005   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687   -1.3389    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    0.9665   -0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409   -1.6443    0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838    1.5778    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -0.0141    1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380   -0.6759   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8304    0.6452   -1.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers