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
   -2.3661    2.2049    0.3728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155    0.9639    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    0.3990    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172   -0.9074   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961   -1.2537   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219   -2.4554   -0.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971   -0.0766    0.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799   -0.0216    0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066    1.1640   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    1.2480   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    0.1201    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953   -1.0748    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992   -1.1415    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0233    0.2567    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8644    0.9948    0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7706   -1.5946   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416    2.0718   -0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892    2.2055   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742   -1.9894    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402   -2.1095    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849    0.7015   -0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216    0.9947    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -0.7003    0.1796 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