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
   -2.1877   -2.0333   -1.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529   -0.9425   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237   -0.4916   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9091    0.6864    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368    1.0776    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    2.1276    0.9857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818    0.0333   -0.0505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2548   -0.0032    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676   -0.0316   -1.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8644   -0.0675   -1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273   -0.0745    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7921   -0.0456    1.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4029   -0.0100    1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210   -0.1117    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8429   -1.0091   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8055    1.2699    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092   -0.0283   -2.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -0.0906   -2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046   -0.0493    2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290    0.0106    2.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    0.1240   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3016    0.7394    0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3821   -1.0801    0.5374 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