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
   -3.1450   -1.4141   -0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1864   -0.3570   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183    0.8993    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330    1.8722    0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618    1.5961    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044    0.3431    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154   -0.5961   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    0.0638    0.1967 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424    0.8599    0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4551    1.9723    1.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8456    0.1737    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -0.9719   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -1.0878   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -2.0740   -0.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5597   -1.9335    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692   -2.1350   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9930   -0.8731   -1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635    1.1221    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    2.8772    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    2.3803    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5121   -1.5846   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8075    0.5753    0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -1.7082   -0.3259 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