Monomers

1-(2-Hydroxyethyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-hydroxyethyl)pyrrole-2,5-dione
InchI
InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h1-2,8H,3-4H2
InchI Key
AXTADRUCVAUCRS-UHFFFAOYSA-N
SMILES
OCCN1C(=O)C=CC1=O
Canonical SMILES
C1=CC(=O)N(C1=O)CCO
Isomeric SMILES
C1=CC(=O)N(C1=O)CCO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO3
Heavy Atom Count
10
Molecular Weight
141.126
Exact Molecular Weight
141.0426
Valence Electrons
54
Radical Electrons
0
tPSA
57.61
MolLogP
-1.0963
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.9101    1.3196   -0.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933   -0.0433   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -0.4727    0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2914   -0.2579    0.3360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1104    0.9042    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7221    1.9373    1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    0.6576   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914   -0.5600   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.1812   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222   -2.3310   -0.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5304    1.8774    0.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0563   -0.6617   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904   -0.1352    0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2266   -1.5472    1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    0.0976    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3907   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221   -0.9942   -1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9  4  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers