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
    0.3241   -1.1055   -1.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738   -0.8957   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807   -0.3100    0.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782   -0.8154    1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -1.8230    2.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    0.0467    1.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072    1.0023    0.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    0.8213   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.5969   -1.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9754   -0.1688    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318   -0.9380    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3446   -0.4285    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633    0.9308    0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694    1.7185    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218    1.1698    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903   -0.2110   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994   -1.9816   -1.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3427   -1.3177   -2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516   -1.9013    0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247   -0.0954    2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1749    1.7637    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0374   -1.9996    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2340   -1.0279    0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4000    1.3875    1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    2.7755    0.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800    1.8063    0.2302 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