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
   -2.2629    2.2686   -0.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5511    1.0534   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.5441   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821   -0.7507   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4948   -1.1645   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941   -2.3418    0.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6640   -0.0254   -0.2951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2578    0.0368   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    0.8548    0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7882    0.8442    0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.0522   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8534   -0.7639   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -0.7704   -1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0095    0.0829   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448    1.0983   -0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7453   -1.4203   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560    1.4928    1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775    1.5119    1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159   -1.3902   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596   -1.4114   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3939   -0.6599   -0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    1.0960   -0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -0.2374    0.8327 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