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
   -3.2964    0.9424    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232    0.1841    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031   -0.6984   -0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867   -1.3681   -1.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697   -1.1205   -1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389   -0.2361   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9132    0.4113    0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958   -0.0094    0.1239 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6598   -0.0946   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6103   -0.3954   -1.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203    0.2169    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700    0.4836    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186    0.3532    1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    0.5359    2.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5076    0.4019    1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2017    0.9714    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    1.9463    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483   -0.8483   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318   -2.0666   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999   -1.6825   -1.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606    1.1065    1.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8279    0.2252   -0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    0.7413    2.1081 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