6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride

C5H10ClNO2 — CID 57424736

IUPAC6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1NCC2OCC1O2.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4-3-7-5(8-4)2-6-1;/h4-6H,1-3H2;1H
InChIKeyLAHFNMZSKOCQLB-UHFFFAOYSA-N
MW151.59 g/mol
LogP-0.25
Rot. Bonds

About 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride

6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 57424736) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID57424736
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1NCC2OCC1O2.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4-3-7-5(8-4)2-6-1;/h4-6H,1-3H2;1H
InChIKeyLAHFNMZSKOCQLB-UHFFFAOYSA-N
XLogP-0.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxa-3-azabicyclo[3.2.1]octane
CID 54594726
2,5,7-trioxabicyclo[2.2.1]heptane
CID 146477270
9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 167727317
(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 177187358
8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
CID 123969687
2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride
CID 57426967
2,6-bis(fluoromethyl)morpholine
CID 72698931
2-oxa-7-azabicyclo[3.3.2]decane
CID 118209690
(1'R,5'S)-spiro[1,3-dithiane-2,3'-6,8-dioxabicyclo[3.2.1]octane]
CID 10584937
2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride
CID 141117776
(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 126969342
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride (CID 57424736) is 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride is C1NCC2OCC1O2.Cl.
What is the InChIKey of 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is LAHFNMZSKOCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-4-3-7-5(8-4)2-6-1;/h4-6H,1-3H2;1H.
What are the key properties of 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 57424736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).