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
   -0.6927   -1.9519   -1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3978   -0.4710   -0.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    0.2179   -0.2188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8120    0.0547    1.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2536   -0.7496    1.9230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    0.9541    1.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2062    1.6273    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    1.2165   -0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3596    1.6832   -1.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350   -0.2000   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -1.2165   -0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845   -0.9705    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    0.3114    0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598    1.3160    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    1.0710   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249   -2.3696   -1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -2.0498   -1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -2.4879   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932   -0.0885   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3924    1.0245    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9857    2.3717    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715   -2.2213   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7854   -1.7843    0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4754    0.5053    1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994    2.3351    0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925    1.8722   -0.1916 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