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
   -0.0976   -1.4446   -1.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597   -0.0550   -1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809   -0.0807   -0.4763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.7322   -0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    1.5938   -1.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    0.3872    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347   -0.5550    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6843   -0.8910    0.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9101   -1.7383    1.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9463    0.2407   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505   -0.4294   -0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556   -0.1128    0.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819    0.8848    1.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7799    1.5591    1.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921    1.2424    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9249   -1.3483   -2.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193   -1.8589   -2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4528   -2.0884   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    0.6851   -2.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    0.8384    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5631   -0.9847    1.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2919   -1.2174   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0840   -0.6379    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    1.1539    2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6524    2.3496    2.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    1.7754    0.6356 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