2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine

C13H17NO — CID 138971497

IUPAC2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine
SMILESCC1(C)[C@@H]2COC[C@@H]2[C@H]1c1ccccn1
InChIInChI=1S/C13H17NO/c1-13(2)10-8-15-7-9(10)12(13)11-5-3-4-6-14-11/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyOOXIQNPXWCWKIV-UMNHJUIQSA-N
MW203.28 g/mol
LogP2.47
Rot. Bonds1

About 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine

2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine (PubChem CID 138971497) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine.

Molecular Properties

Compound Name2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine
PubChem CID138971497
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine
SMILESCC1(C)[C@@H]2COC[C@@H]2[C@H]1c1ccccn1
InChIInChI=1S/C13H17NO/c1-13(2)10-8-15-7-9(10)12(13)11-5-3-4-6-14-11/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyOOXIQNPXWCWKIV-UMNHJUIQSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine?
The IUPAC name of 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine (CID 138971497) is 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine.
What is the SMILES notation for 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine?
The canonical SMILES for 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine is CC1(C)[C@@H]2COC[C@@H]2[C@H]1c1ccccn1.
What is the InChIKey of 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine?
The InChIKey is OOXIQNPXWCWKIV-UMNHJUIQSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2)10-8-15-7-9(10)12(13)11-5-3-4-6-14-11/h3-6,9-10,12H,7-8H2,1-2H3/t9-,10+,12-/m0/s1.
What are the key properties of 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine?
2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine has a molecular weight of 203.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R,6R)-7,7-dimethyl-3-oxabicyclo[3.2.0]heptan-6-yl]pyridine is sourced from PubChem (CID 138971497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).