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
   -1.4162   -2.8327   -2.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5321   -1.8783   -2.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -1.1996   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -0.2511   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799    0.4355    0.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    1.4727    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207    1.6919   -0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897    2.3117    1.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2011    1.4787    2.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    0.1979    1.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -0.8355    1.7199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -3.3447   -3.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0822   -3.1057   -1.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -1.6104   -3.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1127   -1.4802   -0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1021    0.0102   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6684    2.4378    2.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562    3.2972    1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    1.9904    1.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0516    1.2142    3.1549 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