(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one

C11H17NO2 — CID 11991496

IUPAC(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one
SMILESO=C1C[C@@H]2CN3CCCCC[C@@H]3[C@@H]2O1
InChIInChI=1S/C11H17NO2/c13-10-6-8-7-12-5-3-1-2-4-9(12)11(8)14-10/h8-9,11H,1-7H2/t8-,9-,11-/m1/s1
InChIKeyMLGJKGJJUBEJKQ-FXPVBKGRSA-N
MW195.26 g/mol
LogP1.18
Rot. Bonds

About (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one

(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one (PubChem CID 11991496) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one.

Molecular Properties

Compound Name(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one
PubChem CID11991496
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one
SMILESO=C1C[C@@H]2CN3CCCCC[C@@H]3[C@@H]2O1
InChIInChI=1S/C11H17NO2/c13-10-6-8-7-12-5-3-1-2-4-9(12)11(8)14-10/h8-9,11H,1-7H2/t8-,9-,11-/m1/s1
InChIKeyMLGJKGJJUBEJKQ-FXPVBKGRSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one?
The IUPAC name of (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one (CID 11991496) is (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one.
What is the SMILES notation for (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one?
The canonical SMILES for (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one is O=C1C[C@@H]2CN3CCCCC[C@@H]3[C@@H]2O1.
What is the InChIKey of (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one?
The InChIKey is MLGJKGJJUBEJKQ-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-6-8-7-12-5-3-1-2-4-9(12)11(8)14-10/h8-9,11H,1-7H2/t8-,9-,11-/m1/s1.
What are the key properties of (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one?
(1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one has a molecular weight of 195.26 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-3-oxa-8-azatricyclo[6.5.0.02,6]tridecan-4-one is sourced from PubChem (CID 11991496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).