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
    1.9352   -2.3274    0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1602   -1.0967    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123   -0.5136    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4566    0.7831    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    1.1951    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6602    2.4189    0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715    0.0087    0.0638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -0.0618    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095    1.0549   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3023    0.9884   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523   -0.1817    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.2921    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864   -1.2400    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3271   -0.2333    0.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -1.0964    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842    1.5152   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011    2.0277   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8940    1.8915   -0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051   -2.2508    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2399   -2.1523    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9165    0.5626    0.1551 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