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
    4.1057    0.3300   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646   -0.4793   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984    0.0275   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515   -0.7592   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6989   -0.3131   -0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524   -1.1703    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -2.4017    0.3291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0255   -0.2874   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    1.0286    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1418    1.0302   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    1.9706   -0.7021 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548    1.3832   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975   -0.0997   -0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -1.5547   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    1.0859   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -1.8418    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028   -0.6421    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685   -0.0729   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3510    0.8785    1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0934    1.8877    0.2336 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