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
   -2.1152    1.1111    1.9268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.3488    1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9180   -0.0489    0.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9174   -0.8604   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390   -1.0298   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -1.7285   -1.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709   -0.2672    0.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2650   -0.0937   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090   -0.7639    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809   -0.5853    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    0.3004   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    0.9895   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3212    0.7918   -0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.5506   -0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7950    0.2600    1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931   -1.3177   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -1.4614    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -1.0990    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1251    1.6900   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3528    1.3277   -1.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352   -0.3858   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    1.2308    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992    1.0410   -1.1894 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