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
   -3.3274    0.8561   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1896    0.0029   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140   -1.2758    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669   -2.0962    0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652   -1.6189    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790   -0.3221    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8993    0.4611   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    0.1837   -0.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    1.2311    0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.8879    1.5783 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907    1.4081    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    0.5203   -0.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -0.2794   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005   -1.2109   -1.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954    0.4166   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    1.0528   -1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2592    1.8477   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4356   -1.6745    0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5967   -3.1034    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.2690    0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    1.4829   -0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121    2.1227    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6606    0.3762   -1.2934 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