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
    2.0892   -2.4763   -0.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -1.3362   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858   -0.9149   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    0.3541    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101    0.8562    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    2.0322    0.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694   -0.2056    0.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.0953    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -1.1066    0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254   -0.9425    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5306    0.2065    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    1.2112   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456    1.0445   -0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0203    0.3671    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -1.5209   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.9836    0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188   -2.0219    0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5419   -1.7407    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893    2.1170   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    1.8361   -0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469    1.3655   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4311    0.4090    1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4667   -0.4219   -0.5659 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