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
    3.2111    1.2392    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    0.6374    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -0.8132   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.4465   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838   -0.8045   -0.2118 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.0062    0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115    0.2742    1.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977    0.4016    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151    0.3557   -1.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882   -0.8682   -1.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3991   -1.7869   -2.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673    2.3010    0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1288    0.6785    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1410    1.2513    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -1.3811   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815   -2.5417   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785   -0.3653    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012    1.4072    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726    0.2673   -1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930    1.2003   -1.5460 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