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
    4.3897    0.8995    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870   -0.3147    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025   -0.2513   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.4339   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -1.4011   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263   -0.2212   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043    0.9404   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    0.9189   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -0.2120   -0.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7501    0.8859   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4213    2.0512   -1.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1406    0.4223   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2037   -0.8619   -0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130   -1.3082   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562   -2.4921    0.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4805    0.7541    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2229    1.3611    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    1.6757   -0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592   -2.3424   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -2.3682   -0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711    1.9109   -0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    1.8443    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0250    1.0350   -1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973   -1.4922   -0.4366 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