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
    3.6851    1.2676   -1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990    0.5341   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    0.4188   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.3241    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4938   -0.4709    0.4127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3395   -0.9681   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9996   -1.3830   -1.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634   -0.9331   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6700    0.1484    0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -0.1196    1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794   -0.0480    2.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    1.3114   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602    1.8148   -2.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -0.0205    0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068    0.9546   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5058   -0.8573    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0273   -1.8761    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4642   -0.6889   -0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303    1.1675    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640    0.0724    1.7011 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