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
    3.9399    1.0151    0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101    0.1105    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762    0.3458    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -0.5388   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751   -0.2927   -0.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2768   -0.0899    0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664   -0.0819    2.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7258    0.1402    0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -0.1005   -0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4831   -0.2097   -1.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1763   -0.2253   -2.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947    0.8396    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614    1.9206    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -0.7829   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    1.2558    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   -1.4615   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3011   -0.6393    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    1.1569    0.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3872   -1.0742   -1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946    0.7454   -1.3162 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