(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

C7H11NO2 — CID 98053721

IUPAC(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
SMILESO=C1C[C@H]2COC[C@H](C1)N2
InChIInChI=1S/C7H11NO2/c9-7-1-5-3-10-4-6(2-7)8-5/h5-6,8H,1-4H2/t5-,6-/m0/s1
InChIKeyNZOXKWYNXYBVGD-WDSKDSINSA-N
MW141.17 g/mol
LogP-0.29
Rot. Bonds

About (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one (PubChem CID 98053721) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
PubChem CID98053721
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
SMILESO=C1C[C@H]2COC[C@H](C1)N2
InChIInChI=1S/C7H11NO2/c9-7-1-5-3-10-4-6(2-7)8-5/h5-6,8H,1-4H2/t5-,6-/m0/s1
InChIKeyNZOXKWYNXYBVGD-WDSKDSINSA-N
XLogP-0.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
CID 70169107
spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
CID 118677000
(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
CID 131000469
2,6-dimethylpiperidin-4-one
CID 11040712
(5S)-5-aminooxan-3-one
CID 129203799
3-(oxetan-3-ylsulfanyl)cyclopentan-1-one
CID 79326195
(1R,5R)-6-azabicyclo[3.2.1]octan-3-one
CID 98053673
2-[(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetic acid
CID 98234394
3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 105430476
5-(oxetan-3-ylamino)piperidin-2-one
CID 63661229
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193
(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
CID 55300004

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one (CID 98053721) is (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one is O=C1C[C@H]2COC[C@H](C1)N2.
What is the InChIKey of (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is NZOXKWYNXYBVGD-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7-1-5-3-10-4-6(2-7)8-5/h5-6,8H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one?
(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 141.17 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 98053721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).