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
   -0.2659   -2.1457   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811   -1.1488    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.3712    0.5648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    0.4467   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3155    0.6558   -1.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168    1.0588   -0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380    0.6597    1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -0.2401    1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551   -0.8173    2.6934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -0.2635    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142    0.9096    1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1886    1.7613    0.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072    1.4516    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1276    0.2868   -0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365   -0.5549   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594   -2.9039   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -2.6708   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -1.6121   -1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -1.7030    1.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7259    1.7343   -0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3369    0.9613    1.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173    1.1600    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859    2.6842    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    2.1174   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    0.0096   -1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -1.4656   -1.0784 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