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
   -3.9647   -0.4952   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693   -0.0880    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6564   -0.1507   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429    0.2507    0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6194    0.1867    0.4251 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.8658   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929    1.7773   -1.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779    0.2530   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165   -0.0154    0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -0.5698    1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577   -1.5205    1.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -0.8613   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0021   -0.4707   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216    0.2844    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -0.5145   -1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803    0.6262    1.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5227   -0.7214   -1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    0.9571   -1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872    0.9385    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511   -0.7321    0.7078 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