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
    4.1917    0.2593    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9405    0.4803   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -0.0950    0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464    0.0038    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    0.1121    0.2296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441    0.9215   -0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4989    1.5602   -1.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966    0.7672   -0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455   -0.6034   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255   -0.4123    0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -0.6651    2.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898   -0.3213    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    0.7169   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964    1.0692   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.6744    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -0.6823    1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513    1.4754   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877    0.8123   -1.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494   -0.7173    0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5501   -1.3828   -0.9218 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