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
   -4.5675    0.1119   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451   -0.5076   -0.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927   -0.3711   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594   -1.0304   -1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -0.9172   -0.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5809   -0.1356    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687    0.5186    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7211    0.4146    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852    0.0153    0.3236 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968   -0.9687    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8274   -2.2026    0.2030 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -0.3293    0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.9771    0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    1.2670    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    2.3647    0.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375    1.1171   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4983   -0.4946   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3750    0.2544    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200   -1.6475   -2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329   -1.4533   -1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0028    1.1454    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    0.9321    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435   -0.8220    0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    1.7618    1.0605 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