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
    0.4030    2.3580   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326    0.9205   -0.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063    0.1216   -0.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -0.0595    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343    0.4758    2.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622   -0.9397    1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -1.2883    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914   -0.6488   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -0.7553   -2.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    0.2688   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0028   -1.1093   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1406   -1.8137   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -1.1244    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    0.2439    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.9156    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029    2.6016    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854    2.9360   -1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    2.6961   -0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4126    0.8254   -1.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831   -1.2302    2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1265   -1.9449   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1597   -1.6897   -0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301   -2.8853   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1367   -1.6599    0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351    0.7932    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    1.9923    0.2149 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