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
   -0.6381   -0.1768    2.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -0.7788    0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426   -0.5609   -0.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9087    0.6637   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    1.8226   -0.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9557    0.3484   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0633   -0.9587   -1.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647   -1.5641   -0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -2.7924   -0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -0.1277    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422    0.6051    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8854    1.2036    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2739    1.0833   -0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4765    0.3377   -1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3267   -0.2666   -0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132   -0.5041    3.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7054   -0.4157    2.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    0.9233    2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -1.8593    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5644    1.0917   -2.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   -1.5048   -2.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.7154    2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5323    1.8015    1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    1.5554   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    0.2126   -2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -0.8543   -1.5962 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