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
   -4.0269    0.6043    1.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200   -0.1141    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924    0.1593    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -0.5766   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048   -0.2976    0.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.8988   -0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994    2.0318   -0.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    0.6201   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680   -0.5756    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6259   -1.1567    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4112   -2.2435    1.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119    1.4394    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722    0.3849    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4602   -0.9489   -0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926    1.0137    1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828   -1.4044   -0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486    1.4786   -0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    0.3344   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306   -0.3302    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5381   -1.3178   -0.3661 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