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
   -3.1820    1.3218   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2089    0.1945   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -1.1012   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6254   -2.0760    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807   -1.7199    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1422   -0.4189    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    0.5144   -0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010   -0.0130    0.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.3097   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.2655   -2.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    0.6979   -0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    0.6243    0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    0.1832    1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298   -0.0005    2.4058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556    1.5597   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    2.2350    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1549    0.9905   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6583   -1.3295   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323   -3.1146    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401   -2.4954    0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    1.5357   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5544    0.9928   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046    0.8441    1.6364 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