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
    0.3738   -1.5322    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2118   -1.1244    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.4055   -0.2764 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923   -0.8496   -1.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342   -1.8936   -1.9910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3576    0.1427   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390    1.1229   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9044    0.8302    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714    1.5245    1.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -0.2856    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9322   -0.2713    1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777    0.5161    1.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683    1.2854   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    1.2708   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029    0.4920   -1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098   -0.6170    2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674   -2.3088    1.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -1.9582    1.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -2.0490   -0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    0.1078   -2.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198    2.0176   -0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164   -0.8685    1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143    0.5390    1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1507    1.9044   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5063    1.8862   -1.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    0.5244   -1.8973 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