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
    0.4098    2.1795    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570    0.7180    0.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329    0.0369    0.2906 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.0935   -1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    0.3450   -2.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406   -0.8492   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4376   -1.1674    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4589   -0.6313    1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228   -0.7484    2.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    0.1396    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    0.9638   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2037    0.4592   -0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3838   -0.9077   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -1.7433   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1756   -1.2131    0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    2.8383    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    2.4822    0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553    2.2903   -0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    0.6228    1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -1.1313   -2.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3363   -1.7293    0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613    2.0350   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0053    1.1202   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207   -1.2843   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237   -2.8102   -0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4221   -1.9218    0.6026 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