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
   -2.1182    2.3057   -0.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651    1.1686   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9513    0.7209    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9488   -0.5539    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748   -1.0278    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1973   -2.1845    0.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7170    0.0662    0.2874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2749    0.0509    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714    1.1424    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8613    1.1014    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368   -0.0497    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974   -1.1591   -0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182   -1.1024   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0239   -0.1526    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8015    1.3680   -0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8264   -1.1697    0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    2.0691    0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    1.9761    0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309   -2.0773   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093   -1.9830   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250   -0.5174   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4177   -0.8417    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    0.8499    0.4499 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