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
    0.3198   -1.4453   -1.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739   -1.1317   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -0.4549    0.0824 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422   -0.9130    1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632   -1.9980    1.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.0928    1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425    1.0742    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    0.8008   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3303    1.5261   -1.2668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9973   -0.2874   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0060   -0.0280   -0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    0.7826   -0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689    1.3410    0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1506    1.0764    1.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681    0.2669    1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761   -1.8085   -2.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3290   -2.3030   -2.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025   -0.5848   -2.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -2.0908    0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1233    0.0345    1.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    1.9653    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.4556   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797    0.9799   -1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0222    1.9614    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780    1.4974    2.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.1019    1.9219 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