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
    0.5482   -2.1174   -0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066   -0.8925    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133    0.0129    0.1602 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    0.6306    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    0.4843    2.4207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    1.4208    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2533    1.3189   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    0.4587   -1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576    0.1620   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366   -0.2920    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.7156    0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2639   -0.2288    0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863    0.7159   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5700    1.1376   -0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    0.6402   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150   -2.3825   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0463   -1.9194   -1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0493   -2.9622    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798   -1.0980    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    1.9860    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9295    1.8229   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -1.4581    1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0723   -0.5577    1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944    1.0968   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7944    1.8856   -1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5435    1.0290   -1.4376 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