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
   -1.0183   -2.0800    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5127   -0.8524   -0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    0.2738   -0.4799 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.9595    0.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654    0.6618    1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6734    2.0336    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7921    2.0300   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0010    0.9483   -1.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9131    0.6884   -2.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -0.5258   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419   -1.3993    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -1.0992    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3934    0.0862    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.9910    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    0.6552   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607   -2.2878   -0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036   -2.0079    1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976   -2.9405   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953   -1.1288   -1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531    2.7294    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3873    2.7255   -1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1006   -2.3479    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553   -1.7780    1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3866    0.3857    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    1.9435   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9524    1.3356   -1.0582 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