Monomers

1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
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

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.5420    0.2978    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418   -0.5497    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -0.3838   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -1.3061   -0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907   -1.1809   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5496   -0.1332   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317    0.7797    0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.6630    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    0.0083   -0.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.7252    0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5578    1.3758    1.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032    0.5878    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1928   -0.1512   -1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883   -0.5485   -1.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4591   -1.2623   -2.2098 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8389    1.0764   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145    0.7423    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4478   -0.2920    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717   -2.1201   -1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -1.9436   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2900    1.5923    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2184    1.3835    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0941    1.0390    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0483   -0.3998   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
  8 22  1  0
 12 23  1  0
 13 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers