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
   -3.2036   -0.5205   -0.3903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8303   -0.6265   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772    0.5561    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541    0.3191    0.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821   -0.3970    1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574   -0.9440    2.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -0.3587    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160    0.3091   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    0.7548   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614    1.4321   -1.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817   -0.1070   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214   -0.6777   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280   -1.5307    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893    1.5084   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067    0.5665    1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050   -0.8099    1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    0.5260   -1.0740 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