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
    3.8975   -1.0613   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -0.4346    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316   -0.3807    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257    0.2465    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434    0.3247    0.4191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.7733    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4335   -1.9356    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5611   -0.3035   -0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623    1.1420   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    1.5022    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274    2.7084    0.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6501   -1.5513   -1.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9525   -1.1332    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3264    0.0279    1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3517   -0.8551   -0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    0.7355    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.8939   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -0.2700   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0519    1.7071   -1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5250    1.1982    0.4912 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