2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride

C6H12ClNO2 — CID 155892704

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride
SMILESCl.OCC12CNC(CO1)C2
InChIInChI=1S/C6H11NO2.ClH/c8-4-6-1-5(2-9-6)7-3-6;/h5,7-8H,1-4H2;1H
InChIKeyHBRDNPJMLABADF-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.47
Rot. Bonds1

About 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride

2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride (PubChem CID 155892704) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride
PubChem CID155892704
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride
SMILESCl.OCC12CNC(CO1)C2
InChIInChI=1S/C6H11NO2.ClH/c8-4-6-1-5(2-9-6)7-3-6;/h5,7-8H,1-4H2;1H
InChIKeyHBRDNPJMLABADF-UHFFFAOYSA-N
XLogP-0.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methanol;2,2,2-trifluoroacetic acid
CID 155347069
1-ethenyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 71306274
2-azabicyclo[2.1.1]hexane-4-carboxylic acid;hydrochloride
CID 139026825
1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 136562048
[(1S,4S)-2-azabicyclo[2.2.1]heptan-4-yl]methanol
CID 155904518
1-morpholin-4-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 151870745
5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 150614566
1-[3,4-dichloro-5-(3-methylbutyl)phenyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176769257
1-(3-ethoxy-4-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170117178
4,4-difluoropyrrolidin-2-ol
CID 142198674
2-(6-methoxy-2-methylquinazolin-4-yl)sulfanyl-1-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]thiophen-2-yl]ethanone
CID 176571766
6,8-dioxa-3-azabicyclo[3.2.1]octan-1-ylmethanol
CID 154049521

Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride (CID 155892704) is 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride is Cl.OCC12CNC(CO1)C2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride?
The InChIKey is HBRDNPJMLABADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c8-4-6-1-5(2-9-6)7-3-6;/h5,7-8H,1-4H2;1H.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride?
2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethanol;hydrochloride is sourced from PubChem (CID 155892704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).