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
    3.2406    0.6438    0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413    0.3386    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696   -0.4473   -0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916   -0.7625   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -0.3839   -0.7203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822    0.9617   -0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4382    2.0387   -0.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    0.8522    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2075   -0.5599    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -1.2909   -0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7479   -2.4761   -0.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3587    1.2136    1.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976    0.3076    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.6763    0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609   -0.7623   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -1.3372   -2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190    0.9527   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2745    1.5546    1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295   -0.9280    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605   -0.5914    1.7585 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