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
    4.2286   -0.3792   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037   -0.1055    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8211   -0.2339   -0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -0.0374   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    0.1722   -0.0181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418   -0.3775    1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128   -0.4820    2.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -0.6611    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9307    0.6322   -0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724    1.0201   -0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164    1.8896   -1.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402   -0.2550    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2797   -0.6861   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    0.1982    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970   -0.5491   -1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217    0.4050    0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -1.5531   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285   -0.8119    1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155    0.4780   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    1.3366    0.2518 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