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
    0.3798   -2.1233   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633   -1.1513    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311   -0.2039    0.0805 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    0.0066    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655   -0.6080    2.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3482    1.0753    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082    1.4815   -0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041    0.7127   -0.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    0.8318   -2.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228   -0.3836    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0594    0.7212    0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997    1.4717    1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2712    1.0766    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1717   -0.0179   -0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0074   -0.7389   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490   -1.6460   -1.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -2.7004   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.8759   -0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -1.7527    1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186    1.4721    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    2.2625   -1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941    0.9871    1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666    2.3440    1.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1989    1.6628    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070   -0.3193   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9508   -1.5847   -1.2257 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