3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one

C14H25NO2 — CID 171938007

IUPAC3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H25NO2/c1-3-10(4-2)5-14(16)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyRXPVVKZYARDUSB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.15
Rot. Bonds5

About 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one

3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one (PubChem CID 171938007) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
PubChem CID171938007
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H25NO2/c1-3-10(4-2)5-14(16)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyRXPVVKZYARDUSB-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The IUPAC name of 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one (CID 171938007) is 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one.
What is the SMILES notation for 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The canonical SMILES for 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one is CCC(CC)CC(=O)C1CC2COCC(C1)N2.
What is the InChIKey of 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The InChIKey is RXPVVKZYARDUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-10(4-2)5-14(16)11-6-12-8-17-9-13(7-11)15-12/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one is sourced from PubChem (CID 171938007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).