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
   -4.0788    0.0366    0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0669   -0.0784   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7068    0.0078   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499   -0.1015   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579   -0.0101   -0.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394   -0.8663    0.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491   -1.8332    1.2759 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -0.3855    0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524    0.4065   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330    0.9706   -0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557    2.0700   -1.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0819   -0.0287   -0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9016    0.1970    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2292   -0.2386   -1.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5330    0.1722    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -0.2621   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722   -1.2847    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6731    0.2675    1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    1.1906   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155   -0.2298   -1.1239 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