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
    4.5352    0.3989    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    1.0026    0.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313    0.6721    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766   -0.2733   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -0.5760   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767    0.0477    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996    0.9909    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    1.3123    1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9336   -0.2884   -0.1987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074   -0.2814    0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699    0.0116    1.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2191   -0.6907    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9700   -0.9404   -1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451   -0.6981   -1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8992   -0.8218   -2.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4499    1.0172    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700   -0.5985    0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681    0.3035   -0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5704   -0.7654   -0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1892   -1.3212   -1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.4821    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.0671    2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2035   -0.7854    0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -1.2653   -1.9838 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