Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=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
    3.1637    0.4530   -1.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985    0.1187   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355   -0.2591    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233   -0.5636    1.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702   -0.4876    1.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080   -0.1164    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545    0.1783   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025   -0.0471    0.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2503   -0.7507   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983   -1.5832   -1.7391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -0.3544   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7960    0.5348    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559    0.7584    0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1388    1.5222    1.7146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.4408   -2.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603    1.2606   -2.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    0.8488   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -0.2953    1.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040   -0.8587    2.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459   -0.7327    2.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101    0.4730   -1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5008   -0.6967   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6991    1.0385    0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers