1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone

C14H23NO2 — CID 171937634

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
SMILESCC1(CC(=O)C2CC3CCCC(C2)N3)COC1
InChIInChI=1S/C14H23NO2/c1-14(8-17-9-14)7-13(16)10-5-11-3-2-4-12(6-10)15-11/h10-12,15H,2-9H2,1H3
InChIKeyOWZJTIZDSFLKDG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.90
Rot. Bonds3

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone (PubChem CID 171937634) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
PubChem CID171937634
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone
SMILESCC1(CC(=O)C2CC3CCCC(C2)N3)COC1
InChIInChI=1S/C14H23NO2/c1-14(8-17-9-14)7-13(16)10-5-11-3-2-4-12(6-10)15-11/h10-12,15H,2-9H2,1H3
InChIKeyOWZJTIZDSFLKDG-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone (CID 171937634) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone is CC1(CC(=O)C2CC3CCCC(C2)N3)COC1.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone?
The InChIKey is OWZJTIZDSFLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(8-17-9-14)7-13(16)10-5-11-3-2-4-12(6-10)15-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-methyloxetan-3-yl)ethanone is sourced from PubChem (CID 171937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).