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
    4.6414    0.0291    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180    0.8233    0.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.4916    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    1.5294    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    1.2885    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849    0.0313    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196   -0.9933   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6929   -0.7494    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0126   -0.1695    0.0359 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175   -0.7111    0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6212   -1.1332    2.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668   -0.6895    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949   -0.1742   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8071    0.1695   -1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322    0.6728   -2.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920   -0.4954   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374    0.7220    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533   -0.6767    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    2.5429    0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7781    2.0887    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152   -1.9870   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175   -1.5549   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2051   -1.0230    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0213   -0.0321   -1.5243 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