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
    4.5432    0.3001    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719    0.7352    1.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    0.5616    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    1.0884    1.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    0.9220    1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754    0.2855   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4514   -0.2339   -0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7674   -0.0774   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9322    0.1192   -0.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046   -0.9302    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -1.8278    0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1351   -0.7703   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0874    0.2914   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348    0.8871   -1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    1.9037   -1.8998 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5764    0.4623   -0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384   -0.7853    0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872    0.8399    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293    1.5969    2.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342    1.3227    1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -0.7377   -1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -0.4669   -0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9839   -1.4143   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8808    0.6954   -1.9104 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