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
   -1.4994    2.3747    0.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880    1.3035    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103    1.0440   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462   -0.1896   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2082   -0.8118   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0041   -1.9707   -0.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2455    0.1356   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401   -0.0525    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8802    0.5379    1.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2504    0.3600    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016   -0.4266    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993   -1.0179   -0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8231   -0.8357   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2713   -0.5913    0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    1.7333    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4743   -0.6909   -0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    1.1716    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369    0.8294    1.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6988   -1.6516   -1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.3283   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525    0.0769   -0.1182 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