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
    4.5396    0.1375    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5643   -0.6336   -0.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114   -0.4424   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403   -1.2633   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226   -1.1020   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5437   -0.0856    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159    0.7487    0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881    0.5628    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531    0.0877    0.2762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479   -0.9027    0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268   -2.0541    1.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1909   -0.3283    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1692    0.9079    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536    1.2097   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2812    2.2816   -0.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2263    1.2032    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    0.1329   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -0.2004    1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -2.0599   -1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -1.7479   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    1.5290    1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    1.2319    1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1274   -0.8220    1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9749    1.6095    0.0593 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