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
    0.6310   -1.9605   -1.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543   -1.0448    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461   -0.1276    0.3689 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609    0.8906   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669    1.1781   -1.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9802    1.5641    0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324    1.0173    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -0.0672    1.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2481   -0.8103    2.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9492   -0.3671    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -0.7189   -1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.0990   -1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379    0.8941   -0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881    1.2512    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3538    0.6248    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450   -2.7769   -0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6462   -1.4557   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6275   -2.4441   -0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2773   -1.7241    1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265    2.4078   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157    1.3092    2.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562   -1.4766   -1.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7243   -0.3859   -1.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002    1.3970   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994    2.0178    1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    0.9067    1.6754 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