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
   -4.0683   -0.3620   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335   -0.1429    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7036   -0.1029    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693    0.1134    0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801    0.1716    0.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    0.4055    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    0.4832    2.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9846    0.5223    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -0.4277   -0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1080    0.0128   -1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4544    0.1947   -2.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0572   -0.3914    0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276   -0.5112   -1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501    0.0093    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -0.2546   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    0.2630    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401    0.2251    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0135    1.5399   -0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094   -0.2719   -1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -1.4763   -0.5367 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