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
    3.8711   -0.5548    1.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093   -0.6156    1.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -0.2993    0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920   -0.3526    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7430   -0.0424    0.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718    1.2232   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    2.2129   -0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225    1.2052   -1.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067   -0.0526   -1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029   -0.8698   -0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -2.1090   -0.2302 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319   -0.7919    1.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445   -0.2680    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -0.9036    2.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128   -0.0112   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -0.6395    1.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109    2.1228   -1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332    1.0876   -2.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361    0.2042   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702   -0.5457   -2.0629 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