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
    4.0735   -0.0027    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216    0.5435   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715    0.1174    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973    0.6400   -0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7095    0.1992   -0.1774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670   -1.1106   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135   -2.0004   -1.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321   -1.1672    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803    0.2489    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    1.0337    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    2.2319    0.7249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -0.7944    1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636    0.3380    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.3249   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372   -0.6714    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370    1.4228   -1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0378   -1.2789    1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705   -1.9240    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268    0.3352   -0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5883    0.5140    1.3533 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