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
    1.5962   -1.3158    2.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372   -0.6906    1.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -0.5280    1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466    0.1676    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013    0.5289   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    1.1958   -1.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420   -0.0319    0.3717 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    0.0795    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6382   -0.8664    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0100   -0.7834    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672    0.2739   -0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5744    1.2195   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.1308   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8996    0.4279   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3731   -0.9522    2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    0.4315    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2800   -1.7004    1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6960   -1.5263    0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429    2.0359   -1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752    1.8643   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008    0.8238   -1.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4388   -0.5333   -0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869    1.1716   -0.1987 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