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
    4.3608    0.6373   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985   -0.4620   -0.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1659   -0.4381   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249    0.6825   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    0.6967    0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5243   -0.3868    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0262   -1.5087   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -1.5325   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943   -0.3433    0.4211 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -0.3171   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9151   -0.3286   -1.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2205   -0.2759    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8726   -0.2772    1.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -0.3192    1.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -0.3294    2.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    0.4717   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7122    0.6860    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785    1.5922   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.5407    0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    1.5996    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5919   -2.3856   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -2.4387   -1.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2286   -0.2495   -0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6025   -0.2505    2.4146 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