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
    2.9374    0.1551    1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560    0.6046    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769    0.6364   -0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961    0.6657   -1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859    0.1686   -0.6373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.6445    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396    1.5973    1.2691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -0.1698    0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3053   -1.3068   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572   -0.9227   -1.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2475   -1.4646   -2.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -0.2108    1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181    0.1764    1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    0.9297   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    1.2047   -1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    0.9896   -2.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772   -0.4874    1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2443    0.4849    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -2.2638    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -1.4314   -0.4448 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