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
    0.5353    2.0848   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311    1.0945    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.1490    0.3580 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.7389   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -0.8831   -1.8119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.5112   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -1.1428    1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -0.0972    1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3088    0.5252    2.5049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418    0.3555    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    0.8335   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532    0.1946   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760   -0.9490   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4764   -1.4448    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2591   -0.7852    0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940    1.6338   -1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    2.9438   -0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631    2.5134   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    1.6691    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -2.2746   -0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -1.5171    1.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180    1.7258   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805    0.5597   -1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3350   -1.4346   -0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -2.3419    1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591   -1.1625    1.5542 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