Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=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
    2.2645   -2.2723    0.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899   -1.0588    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -0.5707    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8955    0.7383   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    1.1772   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329    2.3827   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    0.0169   -0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556   -0.0033   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.0698   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991   -1.1065   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5345   -0.0511   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403    1.0054    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4548    1.0554    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0275   -0.1011   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -1.1854    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    1.3808   -0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -1.9025   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3097   -1.9594   -1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401    1.8190    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    1.8952    0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4610   -0.5006    0.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824   -0.6336   -1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4446    0.9442   -0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers