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
   -3.3626    0.8141   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881   -0.0774    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -1.4312    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -2.2641    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.7567    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2127   -0.4101    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    0.4238   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135    0.1822   -0.0914 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368    1.0965   -1.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1826    1.4619   -2.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199    1.4861   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    0.8753    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    0.0440    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -0.6836    1.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8736    0.7620    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9955    1.8582   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0715    0.5452   -0.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4226   -1.8213    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -3.3197    0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643   -2.4021    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063    1.4887   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    2.1696   -1.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350    0.9586    0.6566 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