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
    4.0477    0.0767    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0322   -0.5156   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6631   -0.0840   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518   -0.6774   -0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970   -0.2649   -0.4132 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3805   -0.2531    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   -0.8700    1.8676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    0.6233    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093    0.2816   -0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726    0.1972   -1.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    0.4701   -2.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710   -0.2355    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    0.9121    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122   -1.3425   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769    0.7535    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607   -1.5070   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2654    1.7110    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3967    0.4011    1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5518    1.0507   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3500   -0.7273   -0.7979 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