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
   -0.5929    2.2058    0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    1.0604   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    0.0981   -0.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -0.7122    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.6807    1.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.5420    0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2502   -1.2803   -0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -0.2570   -1.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2805    0.2157   -2.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726    0.4159   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -0.7431   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313   -1.4204   -0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3724   -0.9139    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.2436    0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9290    0.8938    0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996    1.7734    1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5325    2.7316    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    2.9484    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772    1.5146   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4778   -2.2389    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0446   -1.7665   -1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5272   -1.1883   -1.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149   -2.3466   -1.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194   -1.4298    0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932    0.6173    1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    1.8011    1.3117 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