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
    0.3542   -2.3479    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -0.9510    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4044   -0.1501    0.2675 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    0.4493    1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3829    0.3954    2.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    1.1734    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246    1.0517   -0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    0.2199   -1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   -0.1313   -2.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9568   -0.2445    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757    1.1107    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180    1.8210    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700    1.1535   -0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390   -0.2032   -0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -0.9078   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289   -2.9579    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334   -2.3826   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239   -2.7802    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -1.0344    1.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    1.7323    0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    1.4820   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676    1.6401    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3087    2.8911    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1732    1.6711   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9658   -0.7257   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932   -1.9751   -0.4895 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