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
   -2.0415   -0.7466    0.9166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0409    0.4032    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0840    0.2857   -1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.0741   -0.6190 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.1075   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    2.3561   -0.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507    0.4621    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2878   -0.8691    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188   -1.1655   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4716   -2.3356   -0.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4999   -1.5019    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368    1.2927    0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618    0.4911   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -0.4849   -1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    1.2681   -1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.9559    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779   -1.5930    0.2664 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