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
    4.2212   -0.4268    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    0.0074    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660   -0.7697    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152   -0.4001    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7199    0.0287    0.1190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7999   -1.0016    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -2.2149    0.4841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471   -0.3027   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255    0.9132   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    1.2633   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962    2.4175    0.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -1.4568    0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494    0.3377    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317    1.1068    0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -1.8947    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0362    0.9174    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555    0.0612    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8114   -0.8904   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705    1.6978   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2650    0.6065   -1.8743 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