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
    1.7226   -0.7214    2.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3453   -0.4599    1.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819   -0.4406    1.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -0.1220   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    0.0800   -0.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    0.3874   -1.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733   -0.1360    0.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2654   -0.0542   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -0.9126   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -0.8080   -0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158    0.1954   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105    1.0737    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4317    0.9424    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9949    0.3282   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438   -0.6466    1.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9713   -0.0169   -0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871   -1.6983   -1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792   -1.4905   -1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3605    1.8381    0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    1.6376    1.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3001    0.0045   -1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262    1.3885   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886   -0.3689    0.2000 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