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
    1.9045   -3.2577    1.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2407   -2.7561    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420   -1.3915    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0852   -0.9215   -0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149    0.4185   -0.5192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    1.5783   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6066    1.6301   -0.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4619    2.7197   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174    2.2367   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7774    0.8087   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053    0.0500   -1.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702   -2.6326    2.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -4.2628    1.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -3.4147   -0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096   -0.7687    1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -1.5651   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4892    2.7959   -1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886    3.6625   -0.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481    2.2760    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    2.7940   -0.6717 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