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
    3.6474   -0.9768    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577   -0.5817    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696   -0.0978   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5775    0.3347   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5537    0.4901   -0.4701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785    0.8033   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086    1.3542   -2.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.3540    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0382   -0.2285    1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115    0.4575    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0596    0.8936    1.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -1.3408    1.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418   -0.9285   -0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -0.6797    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714   -0.0997   -1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324    0.6555   -2.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3524    1.2649    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968   -0.3599   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4502    0.0068    2.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266   -1.3212    0.9440 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