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
    2.1644    0.8207    0.9006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.5422    0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185   -0.7758   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742   -0.1702   -0.3365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.8271    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -1.9986    0.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    0.1057    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480    1.2520   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7432    1.1170   -0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235    1.9934   -1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7456    1.2105    0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203   -0.9793    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -1.0492    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436   -1.8669   -0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181   -0.3591   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271   -0.0784    0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    2.1475   -0.4982 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