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
    0.2255   -2.2915    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974   -1.0966   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386   -0.2577   -0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348    0.1279   -0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7008   -0.2200   -2.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4211    0.9851   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    1.1300    1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    0.3757    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    0.2584    2.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670   -0.2978   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005   -0.7557    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110    0.0593    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871    1.3086   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0453    1.7742   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418    0.9461   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -2.9493    0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868   -2.8360    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0099   -1.9775    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -1.4376   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392    1.4374   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.7090    1.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -1.7427    0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1107   -0.2862    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694    1.9390   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    2.7650   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0599    1.3328   -1.4159 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