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
   -2.3086   -1.5751   -1.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037   -0.7689   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9757   -0.4262   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9303    0.4524    0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    0.7265    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855    1.5048    1.9686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876   -0.0370    0.2113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -0.0409    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4671    1.1331    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    1.1850   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486   -0.0036    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8708   -1.1901    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4737   -1.1977    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459    0.0722    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9203   -0.8073   -0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7957    0.8764    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0926    2.0627   -0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    2.1018   -0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534   -2.0932    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649   -2.1429    0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3223    0.6331   -0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230   -0.9764   -0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    0.5114    0.9705 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