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
    0.4404    1.8384    1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2024    0.3441    1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -0.2437    0.4645 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246   -1.1758    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313   -1.6714    2.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3057   -1.5305    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -0.8685   -0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534   -0.0424   -0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    0.7363   -1.6824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    0.1479    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8565    1.2109    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    0.9942   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961   -0.2287   -1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4393   -1.2915   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -1.0776   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2996    2.2731    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    2.2953    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425    2.0312    1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0699   -0.0559    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140   -2.2202    0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.9136   -1.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    2.1965    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6878    1.8243   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834   -0.4008   -1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6872   -2.2525   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6425   -1.9193   -0.1665 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