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
    0.1648   -2.2582    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -0.9037    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -0.2014    0.3970 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    0.3147    1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    0.2448    2.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921    0.9333    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799    0.8069   -0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9087    0.1024   -0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221   -0.1840   -2.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -0.1289    0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143    1.2240    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    1.8977    0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642    1.2381   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304   -0.0971   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -0.7702   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -2.2418   -1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340   -2.8616    0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -2.7237    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -0.9692    1.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4021    1.4272    0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    1.1824   -1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    1.7277    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3535    2.9571    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1521    1.7811   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151   -0.6498   -1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -1.8478   -0.5795 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