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
    2.9656    0.7843    1.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587    0.3090    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8804   -0.9952    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905   -1.4834   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -0.7703   -0.4222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674   -0.3635    0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010   -0.8058    1.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209    0.6087    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0712    0.7866   -1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820   -0.3381   -1.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0989   -0.8084   -2.7284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    0.2600    1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752    1.7675    1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9437    0.8665    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -1.6022    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -2.4653   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    0.1606    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338    1.5671    0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    1.7530   -1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    0.7689   -1.6731 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