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
   -3.2841   -0.0004    0.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703   -0.1829    0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    0.1463   -0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352    0.0037   -0.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748   -1.1405   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950   -2.2509   -0.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057   -0.7773    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    0.4874    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    1.0224    0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333    2.1950    0.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4848    0.9509   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901    0.4458    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867   -1.2428    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -0.4235   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2392    1.2272   -0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3399   -1.4568    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4091    0.9964    0.8674 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