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
    2.1388    2.2682    0.7021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    1.1144    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9567    0.6901    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9678   -0.5819   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898   -1.0486   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2827   -2.2137   -0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    0.0318    0.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    0.0024   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4300   -0.4636   -1.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098   -0.4810   -1.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657   -0.0318   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8700    0.4350    1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    0.4511    1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0608   -0.0499   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    1.2955    0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   -1.2011   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -0.8228   -1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -0.8537   -2.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    0.7917    1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597    0.8236    1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4360    0.2826    0.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4649    0.6333   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170   -1.0715   -0.3908 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