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
   -3.2456    0.0863   -0.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8845    0.3080   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976   -0.6574    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3054   -0.3174    0.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010    0.6176    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380    1.2948    1.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572    0.6340    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5219   -0.2303   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988   -0.8637   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701   -1.7380   -1.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6639    0.7383    0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810    0.2501   -1.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647    1.3255   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -0.4843    1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644   -1.6947    0.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954    1.2262    0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584   -0.4950   -1.1864 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