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
   -2.3644    0.1887    2.2628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548   -0.0100    1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771   -0.1782    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8647   -0.3711   -0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4289   -0.3351   -1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261   -0.4784   -2.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935   -0.1128    0.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -0.0166    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884    1.1956    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7592    1.2868    0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    0.1384    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897   -1.0762    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -1.1526    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0062    0.2864    0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8961   -0.1473    1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6733   -0.5208   -1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182    2.0886    0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699    2.2497    0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158   -1.9820    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081   -2.1136    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888    0.9347   -0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989    0.8014    1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5264   -0.6755    0.3652 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