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
    3.9424    1.0127    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0589    0.0629    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658    0.3144    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7581   -0.6227    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -0.4161   -0.0432 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384   -1.4110    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4386   -2.5039    0.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8617   -0.8579   -0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    0.6399   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    0.7561   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854    1.7084   -1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699    0.8286    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.9700   -0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719   -0.8945    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405    1.2706   -0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059   -1.5807    0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7930   -1.2450   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -1.0473   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8676    0.7766    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2911    1.2389   -0.8996 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