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
    4.5861    0.0109   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419   -0.8273    0.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -0.5446    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.4957    0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0559   -1.2656    0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.0621    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455    0.8795   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7115    0.6399   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729    0.1572    0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656    0.6443   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216    0.9800   -2.1752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1728    0.6958   -0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2148    0.2627    0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8804   -0.0918    1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503   -0.5296    2.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4384   -0.1274    0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9472   -0.4052   -1.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499    1.0695   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   -2.4529    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -1.9716    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233    1.8192   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013    1.3851   -0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9809    1.0324   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1449    0.1969    1.2152 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