(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one

C10H9NO2 — CID 40696693

IUPAC(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@@]2(c3ccccn3)C[C@@H]12
InChIInChI=1S/C10H9NO2/c12-9-7-5-10(7,6-13-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2/t7-,10-/m0/s1
InChIKeyPKMRSAWOGMFTNH-XVKPBYJWSA-N
MW175.19 g/mol
LogP0.90
Rot. Bonds1

About (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one

(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 40696693) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID40696693
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OC[C@@]2(c3ccccn3)C[C@@H]12
InChIInChI=1S/C10H9NO2/c12-9-7-5-10(7,6-13-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2/t7-,10-/m0/s1
InChIKeyPKMRSAWOGMFTNH-XVKPBYJWSA-N
XLogP0.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one (CID 40696693) is (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OC[C@@]2(c3ccccn3)C[C@@H]12.
What is the InChIKey of (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is PKMRSAWOGMFTNH-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-7-5-10(7,6-13-9)8-3-1-2-4-11-8/h1-4,7H,5-6H2/t7-,10-/m0/s1.
What are the key properties of (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 40696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).