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
    1.9956   -2.0733    0.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2425   -0.9535    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842   -0.4320    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    0.7500   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0269    1.0741   -0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    2.0893   -1.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -0.0166   -0.0534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489   -0.0956    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174   -0.6557    1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2147   -0.7031    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416   -0.1677    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3080    0.4029   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    0.4338   -0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425   -0.1995    0.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5287   -0.9158    0.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463    1.3999   -0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2720   -1.0823    1.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393   -1.1429    1.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001    0.8174   -1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.8795   -1.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8318    0.5910    0.5806 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