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
    3.2288    2.1331    0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603    1.7702    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389    0.8949    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853    0.5530   -0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187   -0.3103   -0.5702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190   -1.6313   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -2.2457    0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -2.1471    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -0.9165    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844   -0.0083   -0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396    0.8594   -1.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087    1.7667    1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808    2.7871    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6728    2.1297   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186    0.5267    1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857    0.9039   -1.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737   -2.7086    1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0731   -2.8060   -0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6815   -1.1025   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6849   -0.4486    1.0841 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