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
   -3.3780   -2.3643   -0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -1.1708    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -0.9201    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726    0.2779    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    0.5250    0.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537    0.3628   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055   -0.1156   -2.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307    0.8452   -0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    1.6824    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    0.9741    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187    0.7835    2.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4422   -2.5330   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439   -3.1889   -0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523   -0.3686    0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660   -1.7218   -0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669    1.0629    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    0.0087   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265    1.4638   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    2.7018    0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3575    1.6951    1.2180 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