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
   -4.4417    0.2024    0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774   -0.7176   -0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152   -0.4924   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412    0.6130    0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752    0.8331    0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -0.1140   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0401   -1.2266   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -1.4338   -0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9331    0.0664   -0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8988   -0.9374    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -2.1506    0.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121   -0.3109    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0306    0.9582   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6264    1.2708   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    2.4077   -0.6709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4770    0.0955    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1843    1.2727    0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5031    0.1061    1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2709    1.3393    0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084    1.6855    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141   -1.9691   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -2.3218   -1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473   -0.8350    0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.6587   -0.4053 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