1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one

C10H11NO3 — CID 166729644

IUPAC1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one
SMILESO=c1ccn([C@H]2CC3C(O)[C@H]3O2)cc1
InChIInChI=1S/C10H11NO3/c12-6-1-3-11(4-2-6)8-5-7-9(13)10(7)14-8/h1-4,7-10,13H,5H2/t7?,8-,9?,10+/m1/s1
InChIKeyNLHONGZZUKYCLP-RGWUEKKESA-N
MW193.20 g/mol
LogP0.13
Rot. Bonds1

About 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one

1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one (PubChem CID 166729644) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one
PubChem CID166729644
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one
SMILESO=c1ccn([C@H]2CC3C(O)[C@H]3O2)cc1
InChIInChI=1S/C10H11NO3/c12-6-1-3-11(4-2-6)8-5-7-9(13)10(7)14-8/h1-4,7-10,13H,5H2/t7?,8-,9?,10+/m1/s1
InChIKeyNLHONGZZUKYCLP-RGWUEKKESA-N
XLogP0.13
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one?
The IUPAC name of 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one (CID 166729644) is 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one.
What is the SMILES notation for 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one?
The canonical SMILES for 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one is O=c1ccn([C@H]2CC3C(O)[C@H]3O2)cc1.
What is the InChIKey of 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one?
The InChIKey is NLHONGZZUKYCLP-RGWUEKKESA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-1-3-11(4-2-6)8-5-7-9(13)10(7)14-8/h1-4,7-10,13H,5H2/t7?,8-,9?,10+/m1/s1.
What are the key properties of 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one?
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one has a molecular weight of 193.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one is sourced from PubChem (CID 166729644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).