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
   -2.0496    2.0197   -1.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827    1.0021   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9064    0.7125   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -0.4340    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477   -0.9298    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169   -1.9744    1.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998   -0.0092   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2757   -0.0238    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601   -0.3915   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.4147   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5594   -0.0705    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8217    0.2953    1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.3204    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -0.0965    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7560    1.3010   -0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908   -0.9458    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1217   -0.6604   -1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -0.7117   -1.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707    0.5730    2.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256    0.6156    2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636   -0.3639    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    0.9273   -0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3900   -0.7408   -0.7431 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