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
    3.1799    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -0.4038   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7267   -0.8752   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   -1.3276   -0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -0.4417   -0.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9856    0.3990    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    0.8721    1.6117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753    0.5858    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030    0.7608   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611   -0.3149   -1.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837   -0.9654   -2.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3297    1.6193    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971    1.2630    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606   -0.9342   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895   -2.1914   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798   -2.3867   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814    1.4234    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9844   -0.4018    0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159    1.7277   -1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.6464   -1.4151 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