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
    0.3363   -2.1789   -0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -0.6769   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463   -0.0509   -0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448   -0.1272    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524   -0.7420    1.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    0.6422    1.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    1.1462   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.7439   -0.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905    1.0267   -2.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.1503   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1104    1.2292   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2426    1.7901    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021    1.0164    0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1718   -0.3640    0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -0.9342    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -2.5455    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -2.4948   -1.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121   -2.5758   -1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472   -0.4226   -1.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    0.7527    2.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923    1.7688   -0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2901    1.8496   -0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    2.8588    0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058    1.4266    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099   -0.9782    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9529   -2.0100   -0.0116 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