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
    3.7005   -1.5892    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206   -0.6456   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845   -0.5708    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895    0.3692   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238    0.4439   -0.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244    0.6286    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7832    0.4470    2.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850    1.0811    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026    0.2582   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696    0.3426   -1.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    0.3314   -2.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7847   -1.6312    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -2.2896    1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709    0.0692   -0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -1.2793    0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735    1.0979   -1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6529    2.1553    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017    0.7359    1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5742    0.8121   -1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120   -0.7668   -0.5480 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