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
   -2.1832   -0.9623    2.0974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484   -0.5076    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425   -0.3488    0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372    0.1618   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426    0.3690   -1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715    0.8353   -2.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6913   -0.0590   -0.0440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2482   -0.0242   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443   -0.7044   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404   -0.6598   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    0.0531   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207    0.7257    0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614    0.6934    0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    0.1240   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8441   -0.5898    1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8246    0.4006   -1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982   -1.2790   -1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -1.1920   -1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3263    1.3167    1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962    1.2369    1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715   -0.8942   -0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130    0.6386   -1.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839    0.6660    0.7634 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