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

C11H19NO2 — CID 66393672

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-3-11(13)8(2)12-6-9-4-5-10(7-12)14-9/h8-10H,3-7H2,1-2H3
InChIKeyIYJHURHKFMVZRZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds3

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

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one (PubChem CID 66393672) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one
PubChem CID66393672
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one
SMILESCCC(=O)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-3-11(13)8(2)12-6-9-4-5-10(7-12)14-9/h8-10H,3-7H2,1-2H3
InChIKeyIYJHURHKFMVZRZ-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one (CID 66393672) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one is CCC(=O)C(C)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The InChIKey is IYJHURHKFMVZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(13)8(2)12-6-9-4-5-10(7-12)14-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one is sourced from PubChem (CID 66393672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).