(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

C6H7NO2S — CID 67656624

IUPAC(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2SC(O)C=CN12
InChIInChI=1S/C6H7NO2S/c8-4-3-5-7(4)2-1-6(9)10-5/h1-2,5-6,9H,3H2/t5-,6?/m1/s1
InChIKeyOXNBQYWHEWDHNQ-LWOQYNTDSA-N
MW157.19 g/mol
LogP0.12
Rot. Bonds

About (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 67656624) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Name(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID67656624
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESO=C1C[C@H]2SC(O)C=CN12
InChIInChI=1S/C6H7NO2S/c8-4-3-5-7(4)2-1-6(9)10-5/h1-2,5-6,9H,3H2/t5-,6?/m1/s1
InChIKeyOXNBQYWHEWDHNQ-LWOQYNTDSA-N
XLogP0.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 67656624) is (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is O=C1C[C@H]2SC(O)C=CN12.
What is the InChIKey of (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is OXNBQYWHEWDHNQ-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-4-3-5-7(4)2-1-6(9)10-5/h1-2,5-6,9H,3H2/t5-,6?/m1/s1.
What are the key properties of (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
(6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 157.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-hydroxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 67656624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).