sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

C7H8NNaO3S — CID 173457868

IUPACsodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
SMILESO=C(O)C1=CN2C(=O)C[C@H]2SC1.[H-].[Na+]
InChIInChI=1S/C7H7NO3S.Na.H/c9-5-1-6-8(5)2-4(3-12-6)7(10)11;;/h2,6H,1,3H2,(H,10,11);;/q;+1;-1/t6-;;/m1../s1
InChIKeyIPMYCIZWYPUYOD-QYCVXMPOSA-N
MW209.20 g/mol
LogP-2.62
Rot. Bonds1

About sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid (PubChem CID 173457868) has the molecular formula C7H8NNaO3S and a molecular weight of 209.20 g/mol. Its IUPAC name is sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
PubChem CID173457868
Molecular FormulaC7H8NNaO3S
Molecular Weight209.20 g/mol
Exact Mass209.01
IUPAC Namesodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
SMILESO=C(O)C1=CN2C(=O)C[C@H]2SC1.[H-].[Na+]
InChIInChI=1S/C7H7NO3S.Na.H/c9-5-1-6-8(5)2-4(3-12-6)7(10)11;;/h2,6H,1,3H2,(H,10,11);;/q;+1;-1/t6-;;/m1../s1
InChIKeyIPMYCIZWYPUYOD-QYCVXMPOSA-N
XLogP-2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The IUPAC name of sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid (CID 173457868) is sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid.
What is the SMILES notation for sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The canonical SMILES for sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid is O=C(O)C1=CN2C(=O)C[C@H]2SC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The InChIKey is IPMYCIZWYPUYOD-QYCVXMPOSA-N. The full InChI is InChI=1S/C7H7NO3S.Na.H/c9-5-1-6-8(5)2-4(3-12-6)7(10)11;;/h2,6H,1,3H2,(H,10,11);;/q;+1;-1/t6-;;/m1../s1.
What are the key properties of sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid is sourced from PubChem (CID 173457868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).