8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one

C10H17NO2 — CID 18919602

IUPAC8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCOCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H17NO2/c1-13-5-4-11-8-2-3-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3
InChIKeyLDFYSYZSCOTFKV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.83
Rot. Bonds3

About 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 18919602) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID18919602
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCOCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H17NO2/c1-13-5-4-11-8-2-3-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3
InChIKeyLDFYSYZSCOTFKV-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 18919602) is 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one is COCCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is LDFYSYZSCOTFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-5-4-11-8-2-3-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 18919602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).