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
    3.9713   -0.9037   -0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027    0.0297   -0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -0.2830   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    0.6311    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5935    0.2416    0.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.2274   -0.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9259   -0.8097   -1.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917    0.0773   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141    0.4718    0.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4335    0.2623    1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778    0.1272    2.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275   -0.6830   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595   -1.9006   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    1.0286   -0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602   -1.2704   -0.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1253    1.6229    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4594   -0.7856   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700    0.9368   -1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5599   -0.1276    1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0372    1.5617    0.9383 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