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
   -2.2312    1.2987    1.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973    0.5252    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9579    0.1923    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041   -0.6632   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815   -0.9265   -1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897   -1.6986   -2.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766   -0.1843   -0.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2609   -0.1068   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5584   -1.1970   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355   -1.0487   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5428    0.1721    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939    1.2737    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529    1.1380    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0085    0.3417    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8329    0.5964    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7331   -1.1126   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -2.1935   -0.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452   -1.9293   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442    2.2382    0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954    2.0032    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186    1.4334    0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -0.1222    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939   -0.0303   -0.6034 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