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
   -3.1125    1.6059    0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    0.4533    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -0.8368    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -1.9047   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4254   -1.6522   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.3848   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8091    0.6518    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -0.1387   -0.1094 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -0.0483   -1.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9468   -0.1757   -2.4658 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6988    0.2256   -0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199    0.2978    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    0.0794    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    0.0763    2.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    2.4508   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166    1.2734    0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9805    1.9289    1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7133   -0.9858    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1573   -2.9041   -0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -2.4999   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    1.6471    0.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589    0.3491   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    0.4916    1.0268 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