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
    2.3778    2.0435    0.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    0.8186    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.2188    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -1.0935    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -1.4041    0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451   -2.5599    0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -0.1879    0.3152 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642   -0.0621    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087   -0.8564    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -0.7068    0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248    0.2702    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860    1.0787   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3238    0.9151   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9877    0.5087   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9357    0.7367    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667   -1.7774    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796   -1.6165    1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6694   -1.3336    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426    1.8656   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697    1.5465   -1.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4809    0.0449    0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.0385   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2370    1.5894   -0.0520 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