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
    4.6079    0.1121   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.1264    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764    0.0602    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801   -0.0413   -0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -0.0971   -0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5633   -0.0553    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212    0.0450    1.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009    0.1004    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800   -0.0836    0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -0.4687    1.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883   -0.8793    2.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2850   -0.3185    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2118    0.1287   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8142    0.3029   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044    0.7037   -2.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809    0.1860   -1.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1729    1.0879   -0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3662   -0.6808   -0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -0.0739   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2726   -0.1796   -1.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    0.0755    2.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    0.1725    2.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1795   -0.5468    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1172    0.3236   -1.1963 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