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
   -1.8920   -0.4107    1.3487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801    0.5089    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298    0.0980   -0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2521    0.0136   -0.4408 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424    1.0356   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656    2.2188   -0.8344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842    0.4623    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2781   -0.8108    0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827   -1.1469    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -2.2926    0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5533   -1.1294    1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    0.6480    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390    1.4859    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    0.7703   -1.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046   -0.9083   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4416    0.9709    0.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912   -1.5135    0.8200 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