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
    4.5230   -0.1437   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5683    0.2315    0.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    0.1496    0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -0.2982   -0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082   -0.3455   -0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263    0.0519    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    0.4991    1.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3753    0.5560    1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582   -0.0006    0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527    1.1063   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5537    2.3100    0.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    0.5991   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1753   -0.7313   -0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -1.1522   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -2.3261   -0.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -0.3103    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843   -1.0538   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7219    0.6228   -0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605   -0.6070   -1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820   -0.7043   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505    0.8082    2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8197    0.9129    2.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1161    1.2169   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0247   -1.3913   -0.3439 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