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
    4.0726    0.3146   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219   -0.2852   -0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6826    0.0805   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264   -0.5164   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -0.2019   -0.2070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8836   -0.8428   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844   -1.8300   -1.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226   -0.0896   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571    0.3631    1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873    0.7574    0.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4462    1.7388    1.1815 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9939    1.0763    0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588    0.0446   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1385   -1.0462   -1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.8544    0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169   -1.2801   -1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429    0.8325   -0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9357   -0.6725   -0.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   -0.5143    1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330    1.2167    1.5951 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