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
   -0.1639    1.8625    1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158    0.9826    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    0.2036    0.0366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682    0.1855   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3722    0.8085   -2.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   -0.6683   -0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3413   -1.1471    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369   -0.6253    1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -0.9298    2.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609    0.2197   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884   -1.0316    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -1.6888    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -1.0777   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    0.1780   -1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    0.8118   -0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613    2.6692    0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409    2.2902    1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570    1.3539    2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    1.6821   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4641   -0.8851   -1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025   -1.8128    1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874   -1.6037    0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909   -2.6875    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3685   -1.5599   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174    0.6614   -1.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    1.8087   -1.2734 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