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
    0.1747   -1.5217   -1.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -0.2414   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    0.0114   -0.3034 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960   -0.7687    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -1.8814    1.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -0.0366    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787    1.0885    0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628    1.1650   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    2.1493   -1.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544    0.0110   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    0.2099   -0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2914    0.4702   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2634    0.5338    1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.3417    1.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248    0.0738    1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -1.4433   -2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865   -1.7259   -2.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -2.3876   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    0.5999   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.3719    1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.8586    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.1634   -1.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2222    0.6267   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1936    0.7431    1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686    0.3870    2.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.0547    1.7360 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