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
    1.9998    0.8470    2.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648    0.4134    1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724    0.2374    0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -0.2398   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -0.4000   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -0.8416   -2.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854    0.0166    0.1485 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    0.0149   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399   -0.2083    1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   -0.2228    0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5440   -0.0062   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376    0.2198   -1.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425    0.2329   -1.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -0.0189   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    0.4677    1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9105   -0.4764   -0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802   -0.3829    2.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5602   -0.3985    1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181    0.3928   -2.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515    0.4115   -2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3888   -0.4414   -1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3879    1.0284   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974   -0.6456    0.5220 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