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
   -2.0564    0.7440    1.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192    0.2333    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9170   -0.0294    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -0.5767   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5822   -0.7022   -1.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2569   -1.1789   -2.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734   -0.1935   -0.1425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2535   -0.1051   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708    1.0916    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    1.2579    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282    0.1900   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   -0.9976   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -1.1578   -0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0084    0.4030   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7404    0.2044    1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8619   -0.8754   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    1.9317    0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525    2.2187    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6053   -1.8219   -0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425   -2.1102   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   -0.5231   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    1.2725   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3605    0.7245    0.8007 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