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
    4.4824    0.0958   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   -0.5884   -0.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619   -0.4007   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6113    0.5103   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311    0.6707   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598   -0.0580    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.9728    0.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4866   -1.1667    0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    0.0826    0.2575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9251   -0.9573    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217   -2.1693    0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2706   -0.3756    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1209    0.9359    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027    1.2790    0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    2.4276    0.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    1.0219   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.4110   -0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -0.5470   -1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    1.1547   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2289    1.4023   -1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913   -1.5577    1.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057   -1.8924    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2154   -0.9411    0.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9313    1.6352    0.5841 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