Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1632    2.0739    0.9654 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    1.0477    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9091    0.7342    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916   -0.4248   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425   -0.9453   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1512   -2.0187   -1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6925   -0.0106   -0.0901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -0.0300    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2959   -0.5594    1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -0.5728    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.0645    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    0.4646   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    0.4784   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0066   -0.0859    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    1.3008    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557   -0.9425   -0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -0.9598    1.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309   -0.9867    2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217    0.8657   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    0.8928   -1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2975    0.2097    1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4409   -1.0841    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922    0.6174   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers