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
   -2.3744    1.6843   -1.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    0.7664   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9774    0.3820   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8620   -0.6110    0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395   -0.9350    0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -1.8145    1.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -0.0546    0.1632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549   -0.0423    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152    1.1281   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7664    1.2200   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    0.0728   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -1.1211    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942   -1.1721    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9913    0.1743   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116    0.8224   -0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6416   -1.1387    1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999    2.0129   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    2.1507   -0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105   -1.9814    0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174   -2.1164    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -0.8510   -0.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3947    0.6632    0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913    0.7611   -1.2376 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