2-oxa-6-azabicyclo[3.2.1]octan-7-one

C6H9NO2 — CID 141368626

IUPAC2-oxa-6-azabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCOC1C2
InChIInChI=1S/C6H9NO2/c8-6-5-3-4(7-6)1-2-9-5/h4-5H,1-3H2,(H,7,8)
InChIKeyDDFNODDNIRDTFK-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.34
Rot. Bonds

About 2-oxa-6-azabicyclo[3.2.1]octan-7-one

2-oxa-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 141368626) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-oxa-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name2-oxa-6-azabicyclo[3.2.1]octan-7-one
PubChem CID141368626
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-oxa-6-azabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCOC1C2
InChIInChI=1S/C6H9NO2/c8-6-5-3-4(7-6)1-2-9-5/h4-5H,1-3H2,(H,7,8)
InChIKeyDDFNODDNIRDTFK-UHFFFAOYSA-N
XLogP-0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of 2-oxa-6-azabicyclo[3.2.1]octan-7-one (CID 141368626) is 2-oxa-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 2-oxa-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 2-oxa-6-azabicyclo[3.2.1]octan-7-one is O=C1NC2CCOC1C2.
What is the InChIKey of 2-oxa-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is DDFNODDNIRDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6-5-3-4(7-6)1-2-9-5/h4-5H,1-3H2,(H,7,8).
What are the key properties of 2-oxa-6-azabicyclo[3.2.1]octan-7-one?
2-oxa-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 127.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 141368626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).