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
    3.9940    0.5274    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0871    0.0769   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715    0.1339    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -0.3161   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350   -0.2619   -0.4191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -0.8813    0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757   -1.4926    1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588   -0.6716    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800    0.6046   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005    0.4286   -1.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    0.7857   -2.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528    0.4960    0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.9601    1.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080   -0.3548   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    0.5631    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0851   -0.7561   -1.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827   -1.4677   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145   -0.5965    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195    0.7235   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719    1.4987    0.2943 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