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
   -3.1417   -1.5038    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.3587    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288    0.9394    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    1.9728   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737    1.6962   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084    0.4109   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397   -0.5890    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    0.1153   -0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    0.9651   -0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5199    2.1669   -0.7198 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8327    0.1930   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860   -1.0441    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123   -1.1233    0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5286   -2.1981    0.6216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040   -2.4538   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9980   -1.3150   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4451   -1.6463    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6985    1.1902    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679    3.0212   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    2.5258   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5499   -1.6474    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569    0.5600   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2622   -1.8774    0.3288 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