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
    0.4826   -2.1036    0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915   -1.0985   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203   -0.1932   -0.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -0.0874   -1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1734   -0.7463   -2.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    0.9124   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503    1.3903    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    0.7258    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642    0.8868    1.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800   -0.3534   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    0.7375   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392    1.4975   -0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268    1.1441    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443    0.0504    0.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9749   -0.6868    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -3.1021    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.2611    1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1402   -1.7583    1.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205   -1.6644   -1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0489    1.2234   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    2.1581    0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4263    1.0124   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772    2.3532   -1.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2638    1.7086    0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9256   -0.2127    1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485   -1.5327    1.4966 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