2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

C6H12ClNO — CID 144891007

IUPAC2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2CC1CNO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-3-5(1)4-7-8-6;/h5-7H,1-4H2;1H
InChIKeyNFIBECJUQQFMLK-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.11
Rot. Bonds

About 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 144891007) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID144891007
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2CC1CNO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-3-5(1)4-7-8-6;/h5-7H,1-4H2;1H
InChIKeyNFIBECJUQQFMLK-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxa-3-azabicyclo[3.2.0]heptane
CID 175043364
2-oxa-7-azabicyclo[3.3.2]decane
CID 118209690
3-oxabicyclo[3.2.1]octane;hydrochloride
CID 118591405
2,7-dioxabicyclo[7.2.1]dodecane
CID 45098511
2-azabicyclo[2.2.1]heptane;azane;hydrate
CID 175690647
3-azabicyclo[3.2.2]nonane
CID 9240
6-oxa-3-azabicyclo[3.2.1]octane
CID 54594726
bicyclo[2.2.2]octane
CID 9235
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
CID 14813870
2-methyl-3-azabicyclo[3.2.1]octane
CID 20522177
2-oxa-5-azabicyclo[5.1.1]nonane
CID 118209751
3-azabicyclo[4.3.1]decane;hydrochloride
CID 138040352

Frequently Asked Questions

What is the IUPAC name of 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride (CID 144891007) is 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is C1CC2CC1CNO2.Cl.
What is the InChIKey of 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is NFIBECJUQQFMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-6-3-5(1)4-7-8-6;/h5-7H,1-4H2;1H.
What are the key properties of 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride?
2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 144891007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).