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
    1.9344   -2.1500    0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.9804    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718   -0.4291   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    0.8482   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    1.1951   -0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5258    2.3324   -0.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613    0.0515   -0.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527   -0.0529    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    0.2079   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    0.1113   -0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568   -0.2497    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -0.5126    1.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544   -0.4132    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.3552    0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059   -0.9691   -0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735    1.5399   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465    0.4962   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376    0.3181   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5674   -0.8026    2.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0694   -0.6161    2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8991    0.4301    0.7341 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