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
   -2.2316    2.0268    1.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    0.9021    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9395    0.4478    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720   -0.7735   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4902   -1.1853   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0338   -2.2523   -0.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541   -0.0960    0.1929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288   -0.0408    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636    0.8764   -0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    0.9268   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.1015    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -0.7982    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -0.8876    0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.2314   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8629    0.9905    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7535   -1.3870   -0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516    1.5311   -1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    1.6536   -1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225   -1.4469    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165   -1.5855    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.1570   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3122    1.3028   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5027   -0.3808    0.7274 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