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
    4.3303    0.3211    1.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443   -0.7423    0.8039 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5732    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316    0.6673    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3057    0.8342    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -0.1638   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795   -1.4083   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4232   -1.5982    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826    0.0497   -0.4362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9456   -0.0601    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -0.3575    1.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1929    0.2375   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9534    0.5124   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    0.4037   -1.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258    0.5983   -2.7441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    1.1975    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017   -0.0365    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992    0.5837    2.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549    1.4805    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    1.8139    0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5428   -2.2106   -0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8788   -2.5629   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1911    0.2443    0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7118    0.7694   -2.2357 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