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
    0.5068   -2.0805   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3213   -0.6030   -0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616    0.1567   -0.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909    1.1932   -1.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6920    1.6215   -2.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    1.6505   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.0017    0.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718    0.0348    0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451   -0.7815    1.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -0.2059   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628    0.2708    1.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    0.5988    1.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    0.4455    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836   -0.0349   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1424   -0.3482   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166   -2.3419   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085   -2.5854    0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1877   -2.4991   -1.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249   -0.2831   -1.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9423    2.4369   -0.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    1.1212    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195    0.4353    1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3773    0.9749    2.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4275    0.6966    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2909   -0.1520   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107   -0.7229   -1.8317 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