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
    4.0783    0.4956   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    0.5149   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    0.5365   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030   -0.5264    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -0.4625    0.5016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    0.3882    1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595    0.8651    2.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509    0.5188    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8824   -0.9116    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203   -1.2667   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3600   -2.0971   -1.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256   -0.4960   -0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7807    1.2119   -1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489    1.8058   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    1.4521   -0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3795   -1.4275    0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4173    0.8117    1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    1.1686   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994   -1.0342   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -1.5471    1.2549 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