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
   -0.3790   -0.8190   -2.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507    0.1812   -0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4705    0.2160   -0.1036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499    1.3754    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0178    2.5419   -0.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    1.0093    1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021   -0.2914    1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.8367    0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757   -2.0432    0.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    0.0631   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    0.5324   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.4596   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -0.0632    0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -0.5259    1.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600   -0.4528    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484   -0.4782   -2.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -0.9822   -2.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0710   -1.7692   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806    1.2273   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    1.6867    1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555   -0.9250    1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    0.9222   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1840    0.8282   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3882   -0.1079    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031   -0.9358    2.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -0.8126    1.5641 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