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
    4.0614   -0.9282    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -1.0235   -0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779   -0.5790   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784   -0.1967   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793    0.2407    0.1721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157   -0.1932    1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -0.7707    2.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926    0.1233    0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523    1.0477   -0.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092    1.3144   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7932    2.2980   -1.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810   -0.5023    1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481   -1.2590   -0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4228   -1.4681   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -0.9174   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712    0.1821    1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.7639    1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -0.7384    0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2148    0.5878   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2697    2.0188   -0.2020 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