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
    3.7868    1.2790    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109    0.7758    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    0.5510    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087    0.0499   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5693   -0.1857   -0.3669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494   -0.7297   -1.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923   -0.8307   -2.6085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -1.1196   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503    0.0128    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    0.0339    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8595    0.2063    1.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3967    1.5277    1.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396    1.4762    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4539    0.5499   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2369    0.8030    1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409   -0.1867   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732   -1.1337   -1.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866   -2.0387   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282   -0.2337    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0715    0.9587   -0.0865 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