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
    4.0738    0.0706   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0339   -0.5210    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731   -0.0784    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6197   -0.6664    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.2215    0.2881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -0.1742   -1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051   -0.7076   -2.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5402    0.6145   -0.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9608    0.1992    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514    0.2433    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3790    0.5975    2.4338 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730   -0.2843   -0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9701    0.9211   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1594   -1.3710    0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    0.7706   -0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -1.5143    1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2926    0.4108   -1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    1.6772   -0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7035    0.8887    0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961   -0.8548    0.5365 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