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
   -4.4434   -0.3429   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.8110    0.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2359   -0.5473    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    0.1419   -0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    0.4100   -0.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -0.0113    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -0.7010    1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353   -0.9691    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305    0.2435    0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748    1.4254   -0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165    2.4192   -0.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    1.2511   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698    0.0495    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941   -0.6257    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -1.7939    0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5204   -0.4682   -0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725   -0.9343   -1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3129    0.7518   -0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    0.4696   -1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    0.9481   -1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115   -1.0426    2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391   -1.5161    2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572    2.0133   -0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577   -0.3600    0.3461 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