sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

C8H10NNaO3S — CID 174275944

IUPACsodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
SMILESCC1S[C@@H]2CC(=O)N2C=C1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H9NO3S.Na.H/c1-4-5(8(11)12)3-9-6(10)2-7(9)13-4;;/h3-4,7H,2H2,1H3,(H,11,12);;/q;+1;-1/t4?,7-;;/m1../s1
InChIKeyFCKZOVCPPMVXDB-HFNNPSDVSA-N
MW223.23 g/mol
LogP-2.23
Rot. Bonds1

About sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid

sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid (PubChem CID 174275944) has the molecular formula C8H10NNaO3S and a molecular weight of 223.23 g/mol. Its IUPAC name is sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
PubChem CID174275944
Molecular FormulaC8H10NNaO3S
Molecular Weight223.23 g/mol
Exact Mass223.03
IUPAC Namesodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
SMILESCC1S[C@@H]2CC(=O)N2C=C1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H9NO3S.Na.H/c1-4-5(8(11)12)3-9-6(10)2-7(9)13-4;;/h3-4,7H,2H2,1H3,(H,11,12);;/q;+1;-1/t4?,7-;;/m1../s1
InChIKeyFCKZOVCPPMVXDB-HFNNPSDVSA-N
XLogP-2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The IUPAC name of sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid (CID 174275944) is sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid.
What is the SMILES notation for sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The canonical SMILES for sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid is CC1S[C@@H]2CC(=O)N2C=C1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
The InChIKey is FCKZOVCPPMVXDB-HFNNPSDVSA-N. The full InChI is InChI=1S/C8H9NO3S.Na.H/c1-4-5(8(11)12)3-9-6(10)2-7(9)13-4;;/h3-4,7H,2H2,1H3,(H,11,12);;/q;+1;-1/t4?,7-;;/m1../s1.
What are the key properties of sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid?
sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(6R)-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid is sourced from PubChem (CID 174275944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).