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
    3.5841    1.1943    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947    0.8324    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765   -0.5613   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415   -1.1024   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521   -0.6097   -0.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6626   -1.4191   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -2.6415   -0.8062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -0.6004   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    0.8000    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9523    0.7061   -0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4788    1.6631   -1.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113    0.4125    0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7903    2.2330    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.6535    0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -1.2596    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113   -2.2411   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714   -0.6441   -0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710   -1.0211    0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172    1.5633   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140    1.0420    1.2191 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