Monomers

1H-Pyrrole-2,5-dione, 1-(1-phenylethyl)-

Identifiers

IUPAC name
1-(1-phenylethyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-9H,1H3
InchI Key
PWZXUQWQRVKGAH-UHFFFAOYSA-N
SMILES
CC(N1C(=O)C=CC1=O)c1ccccc1
Canonical SMILES
CC(C1=CC=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC(C1=CC=CC=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.6726
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.6784   -0.3480    2.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    0.5257    1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3246    0.6645    0.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -0.3525   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506   -1.5830   -0.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9955    0.3048   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    1.6143   -1.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210    1.8837   -0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6087    3.0276    0.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -0.0675    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765   -1.0770    0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -1.6067    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961   -1.1273   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4909   -0.1269   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    0.3899   -0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030   -0.2053    3.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -0.0446    2.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471   -1.4306    1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620    1.4949    1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360   -0.2864   -2.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    2.3398   -1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3913   -1.4736    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798   -2.4022    0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0791   -1.5450   -1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206    0.2486   -2.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.1831   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 15 10  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  6 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers