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
    2.9646   -1.1885   -2.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -1.3212   -1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333   -0.6299   -0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7440   -0.7888    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541   -0.1089    0.7438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494   -0.2035    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802   -1.1834   -0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674    1.0496    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920    1.5820    1.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    0.8048    1.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432    0.9458    2.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8586   -1.7170   -2.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058   -0.5547   -3.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9447   -1.9788   -0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7363    0.0135   -1.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300   -1.4401    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3781    1.7111   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5636    0.8720    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    2.6387    1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4012    1.4973    2.6339 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