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
    3.8970    0.6250   -0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -0.0352    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090    0.1196   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7352   -0.5280    0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -0.3287    0.4349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298    0.9063    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9672    1.9634    1.0751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169    0.7582   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7093   -0.6927   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5585   -1.3456    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769   -2.5757    0.2719 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9647    0.5256   -0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    1.2831   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -0.7005    0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    0.7774   -0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0543   -1.2017    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441    1.3858   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396    1.1063    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6939   -0.8730   -1.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283   -1.1698   -0.1821 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