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
   -0.5606   -2.2233    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2924   -0.8925   -0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4090   -0.0344   -0.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3133    0.4867   -1.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025    0.2903   -2.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2885    1.3091   -0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0132    1.3002    0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343    0.4676    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052    0.2469    2.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3092   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    1.0030   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800    1.5835   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    0.8349    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.4762    0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198   -1.0247    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727   -2.9955   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5526   -2.5765   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706   -2.0304    1.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2226   -1.1065   -1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1157    1.8450   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5961    1.8398    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438    1.5871   -1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    2.6109   -0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265    1.3370    0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   -1.0289    1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7143   -2.0441    0.7424 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