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
    0.2478    1.8000   -1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2613    0.3479   -1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504   -0.0148   -0.3219 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535    0.4767    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987    1.3224    1.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140   -0.1771    1.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -1.0062    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4762   -0.9354   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -1.5862   -1.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800   -0.0135   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1009   -1.2544    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2443   -1.6071    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3192   -0.7538    1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112    0.4828    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    0.8356   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748    1.9599   -2.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626    2.0224   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244    2.4844   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -0.2352   -2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    0.0280    2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965   -1.6113    0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624   -1.9411    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -2.5734    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275   -1.0059    1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628    1.1500    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007    1.8052   -0.6953 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