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
    3.3215    0.5834   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652    0.2333   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555   -1.1025    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5224   -1.5040    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -0.6373    0.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053   -0.0147   -1.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -0.3756   -2.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723    1.0426   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.3783    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4938   -0.2413    1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3751   -0.3957    2.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    1.5690   -0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596   -0.0613   -0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.9235   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636   -1.7680    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -2.4994    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    1.8773   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288    1.3362   -1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887    1.1004    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665   -0.4442    0.0521 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