1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one

C11H19NO2 — CID 66391752

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one
SMILESCCCC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-2-3-9(13)6-12-7-10-4-5-11(8-12)14-10/h10-11H,2-8H2,1H3
InChIKeyYYCLQLFLTAKJFN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds4

About 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one

1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one (PubChem CID 66391752) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one
PubChem CID66391752
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one
SMILESCCCC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-2-3-9(13)6-12-7-10-4-5-11(8-12)14-10/h10-11H,2-8H2,1H3
InChIKeyYYCLQLFLTAKJFN-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one (CID 66391752) is 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one is CCCC(=O)CN1CC2CCC(C1)O2.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one?
The InChIKey is YYCLQLFLTAKJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-9(13)6-12-7-10-4-5-11(8-12)14-10/h10-11H,2-8H2,1H3.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one?
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one is sourced from PubChem (CID 66391752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).