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
    2.2120   -2.2084   -0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -1.0145   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9209   -0.5274   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9185    0.7731    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129    1.2051    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    2.3699    0.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657    0.0727   -0.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2433    0.0052   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    1.1075   -0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    1.0725   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -0.0826   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947   -1.1845    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -1.1325    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -0.1326   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -1.0917   -0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7999    1.3915    0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366    1.9793   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555    1.9215   -0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2852   -2.0866    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1438   -1.9901    0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3594   -0.2862   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4005    0.8227    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3555   -0.9840    0.5251 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