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
    0.1613   -1.7345    1.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -1.1248    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -0.3813   -0.1044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364    0.7523    0.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3191    1.2857    1.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.1036   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    0.2923   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075   -0.6774   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -1.6343   -1.9663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797   -0.2670   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.5922   -1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682    1.3936   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1949    1.3362   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623    0.5082    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -0.2949    0.8257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563   -0.9418    2.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0695   -2.3153    1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -2.4529    1.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.9509   -0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219    1.9383    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3579    0.3141   -1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    0.6435   -1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331    2.0614   -2.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    1.9756   -0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882    0.5050    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -0.9268    1.6781 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