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
   -1.8600   -0.7290    2.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124   -0.3233    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5597   -0.0833    0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902    0.3337   -0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0787    0.3855   -1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    0.7293   -2.2625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.0321   -0.0436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -0.1015   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -0.9947   -0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753   -1.0038   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -0.1240    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368    0.7701    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    0.7867    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -0.1025    0.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4774   -0.2170    1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3408    0.5875   -1.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -1.7004   -1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049   -1.7383   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7892    1.4836    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391    1.5081    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    0.5653    0.7312 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