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
    4.4757   -0.3286    0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162   -1.2352    0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0956   -0.8562    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656   -1.7947    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409   -1.3675    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381   -0.0839   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523    0.8583   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    0.4464   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    0.3237   -0.2563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286    1.2688   -1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695    1.9569   -1.9885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8877    1.3419   -0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987    0.4945   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0195   -0.1860    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -1.0684    1.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5771    0.3684    1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4156   -0.9391    0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3068    0.3189   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519   -2.7940    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361   -2.0902    0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    1.8823   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    1.2030   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5420    1.9815   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2119    0.2991    0.3253 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