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
    0.0968    0.6060   -2.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710    0.7261   -0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204    0.1984   -0.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653   -1.0932   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6118   -2.0722   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423   -1.1786    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550   -0.0158    0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    0.8994    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    2.1078    1.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469    0.2193   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0451    1.0927    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2237    0.7492    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3728   -0.4841    1.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3329   -1.3561    1.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -0.9921    0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.3883   -2.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    0.7484   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872   -0.3640   -2.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2857    1.8483   -0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0356   -2.0081    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263    0.2648    1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294    2.0911   -0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0473    1.4697    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3074   -0.7915    1.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -2.3462    1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -1.7075    0.5455 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