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
    4.5016   -0.7380   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474   -0.0955    0.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2632   -0.0304    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975   -0.6111   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297   -0.5375   -0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456    0.1212    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249    0.7076    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4966    0.6365    1.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    0.2040    0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9429   -0.8312    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553   -2.0548    0.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829   -0.2574   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1390    1.0537   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176    1.4018   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169    2.5646   -0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5507   -0.5317   -0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -1.8323   -0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4057   -0.3468   -1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -1.1375   -1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -0.9926   -1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    1.2329    1.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366    1.0923    2.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2249   -0.7900   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9608    1.7723   -0.3283 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