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
   -0.3632   -2.2245    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540   -0.8323    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782   -0.0989    0.2223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298    0.5920    1.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.7030    2.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568    1.1065    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594    0.7898   -0.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269    0.0260   -1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -0.4254   -2.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9962   -0.1228    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547    0.6801   -0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.2742   -1.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    1.0837   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    0.2650    0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083   -0.3186    0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2985   -2.9672    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091   -2.5129   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3534   -2.4529   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353   -0.8187    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2691    1.6821    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0650    1.0476   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722    0.9148   -1.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172    1.9195   -2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4588    1.5460   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1752    0.0982    1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145   -0.9542    1.8633 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