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
    0.6418    2.0179    0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499    0.5207    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   -0.1691    0.3926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599   -1.0170    1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071   -1.3096    2.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817   -1.5179    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463   -1.0177   -1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814   -0.1550   -0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865    0.4858   -1.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664    0.2327    0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    1.1969    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1273    0.8487   -0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467   -0.4544   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -1.4086   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -1.0731    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5294    2.3945   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    2.1872    1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    2.5567    1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749    0.2789    2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -2.2001    0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878   -1.2453   -2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715    2.2201    0.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700    1.6198   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3941   -0.7155   -1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395   -2.4299   -0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -1.8469    0.3223 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