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
    1.7943    1.4668   -2.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    0.7714   -1.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.5674   -1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067   -0.2334   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7164   -0.5868    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923   -1.3182    1.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    0.0500   -0.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2786    0.0101    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548    0.5845    1.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258    0.5354    1.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5347   -0.0999    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9116   -0.6788   -0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440   -0.6297   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0148   -0.1664    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    0.9722   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766   -0.5578    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731    1.0830    1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2266    0.9846    2.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5364   -1.1810   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361   -1.0814   -1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4799    0.6887   -0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.0928    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3668   -1.0878    0.0104 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