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
    0.5756   -2.1474   -0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -0.6492   -0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636    0.0596   -0.1385 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8149    0.1076    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2482   -0.4778    2.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9930    0.9863    1.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    1.4467    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    0.9110   -0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582    1.1283   -2.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470   -0.2113   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -0.7778    0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8367   -0.3636    1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4890    0.6415    0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8861    1.2316   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364    0.8070   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -2.6223   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -2.4898    0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140   -2.3922   -1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -0.4245   -1.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5114    1.2354    2.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1733    2.1227   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898   -1.5728    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3212   -0.8246    1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4739    0.9781    0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    2.0277   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762    1.2696   -1.8845 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