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
    3.9460   -1.2478   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -0.8071   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -0.7945    0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -0.3232    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011    0.1709    0.3823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844   -0.5004    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211   -1.4951    1.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8610    0.2075   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    1.6517   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    1.5219   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    2.4517   -0.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -1.2720   -1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2800   -1.6098    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3852   -0.4386   -1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -1.2161    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -0.5487    1.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478    0.0804    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -0.0978   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871    2.2515   -0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8607    2.0157    0.8716 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