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
    4.4149   -0.6771    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988    0.4567    0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355    0.3541   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    1.5219   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    1.4119   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4971    0.2026   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145   -0.9592   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6116   -0.8627   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    0.1291   -0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8024    0.9904   -0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545    1.9889   -1.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576    0.5124   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1476   -0.5514    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584   -0.8416    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -1.7685    1.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4591   -0.3826   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -1.4597   -0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338   -1.0681    1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    2.5063   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    2.3521   -0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501   -1.9373   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274   -1.8178    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0453    1.0041   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0124   -1.1046    0.5214 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