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
    2.1087    2.0306    1.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    1.0413    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358    0.6845    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -0.4207   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588   -0.8499   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -1.8740   -1.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6765    0.0786   -0.1751 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601    0.0535   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5109    0.9957   -0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968    0.9112   -0.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5433   -0.1048   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -1.0489    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904   -0.9549    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0407   -0.1769   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    1.1918    0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422   -0.9192   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140    1.7807   -1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    1.6600   -1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566   -1.8542    1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -1.6900    0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3954    0.4422    0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381   -1.2339    0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4783    0.2572   -1.0067 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