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
    3.3611    0.7930   -0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065    0.0107   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393   -1.1716    0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895   -1.9135    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -1.4676    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1617   -0.2827    0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    0.4508   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    0.1272    0.1257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443    1.4599    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608    2.4669    0.6825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888    1.4554    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078    0.2464   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6445   -0.6272   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   -1.8470   -0.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0452    0.1316   -1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    1.2373    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9405    1.6087   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714   -1.4914    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -2.8544    1.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7457   -2.0365    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    1.3865   -0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0074    2.3530    0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8351   -0.0357   -0.3806 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