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
   -2.0969   -1.4997    1.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -0.7690    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8915   -0.5373    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9423    0.2752   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    0.6091   -0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3488   -1.8207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -0.0522    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415   -0.0475   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    0.9420    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071    1.0323    0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082    0.0545    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8733   -0.9414   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -0.9905   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.1672    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765   -0.9207    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8431    0.6437   -0.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603    1.7016    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3112    1.8293    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935   -1.6646   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -1.7858   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -0.3534    1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4501   -0.2663   -0.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043    1.2246    0.2317 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