Monomers

1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-hydroxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InchI Key
BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)O
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H7NO3
Heavy Atom Count
14
Molecular Weight
189.17
Exact Molecular Weight
189.0426
Valence Electrons
70
Radical Electrons
0
tPSA
57.61
MolLogP
0.8216
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.6060    1.2408    2.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    0.6926    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4658    0.5613    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5679   -0.0571   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2166   -0.3644   -0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8908   -0.9379   -1.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2577    0.1105    0.0651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558    0.0092   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9997    1.0770    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    0.9972    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135   -0.2305   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -1.3448   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493   -1.2006   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109   -0.2738   -0.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    0.9296    1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169   -0.2775   -0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5603    2.0487    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    1.8629    0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126   -2.2686   -0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089   -2.0772   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845   -0.4975    0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers