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
    3.8613   -0.4124   -1.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    0.3517   -0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010   -0.0416   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560    0.7429    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092    0.3131    0.2488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -0.8747    0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -1.7105    1.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -0.9690    0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007    0.4913    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7270    1.0268   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7246    1.9057   -1.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   -0.1246   -1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -1.3704   -1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234    1.2825   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734   -1.0034   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1015    1.6727    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -1.3746    1.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875   -1.5167   -0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    0.6617   -0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8475    0.9494    1.5177 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