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
   -4.4221   -0.6309    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596    0.2074   -0.4986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736    0.2111   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    1.0104   -1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046    1.0086   -1.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246    0.2069   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2872   -0.5856    0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469   -0.5812    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364    0.1705    0.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954    1.0571    0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.0601    1.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1799    0.6120    0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853   -0.4876   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8028   -0.8140   -0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.7766   -1.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0699   -1.6776    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4127   -0.2328    1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4687   -0.6050   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    1.6374   -1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    1.6416   -1.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297   -1.2154    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2400   -1.2104    1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719    1.0718    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0503   -1.0781   -0.4133 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