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
    0.3557    2.3089   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131    0.9324    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    0.1543    0.2422 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1829   -0.2376   -0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591    0.0791   -2.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401   -1.0760   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936   -1.2058    0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -0.4717    1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0174   -0.3647    2.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.2000    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0891    0.5315    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176   -0.0699    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396   -1.0556   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3615   -1.4227   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314   -0.7789   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    2.7067   -0.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    2.9901    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088    2.2765   -1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2166    1.0827    1.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0523   -1.5267   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -1.7555    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0385    1.3129    1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1645    0.2251    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4062   -1.5293   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4867   -2.1981   -1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168   -1.1076   -1.4180 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