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
    4.0347   -0.0419    0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616   -0.3468    1.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.0938    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -0.3944    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623   -0.1517    0.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -0.7080   -1.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4090   -1.3937   -1.8203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -0.3240   -1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162    0.9975   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384    0.6902    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    1.0464    1.8765 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0532    0.4093   -0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9357   -0.2342    1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374   -0.7920    2.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    0.3482   -0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4121   -0.8401    1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2054   -1.0294   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7399   -0.2172   -2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404    1.7834   -1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6549    1.2922   -0.3404 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