(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride

C7H14ClNO2 — CID 138392534

IUPAC(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride
SMILESCN1C2COC(C2)C1CO.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-5-2-7(10-4-5)6(8)3-9;/h5-7,9H,2-4H2,1H3;1H
InChIKeyQCLVJJJJKNZYSK-UHFFFAOYSA-N
MW179.65 g/mol
LogP-0.13
Rot. Bonds1

About (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride

(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride (PubChem CID 138392534) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride
PubChem CID138392534
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride
SMILESCN1C2COC(C2)C1CO.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-5-2-7(10-4-5)6(8)3-9;/h5-7,9H,2-4H2,1H3;1H
InChIKeyQCLVJJJJKNZYSK-UHFFFAOYSA-N
XLogP-0.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
CID 169228003
[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 54244939
[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877
5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane-6-carboxylic acid
CID 105434698
(2R,3R,4S,6R)-2,6-bis(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 71545444
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
(4aS,8aS)-2-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,7-diol
CID 137402322
(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)methanol
CID 112757608
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
CID 130891139
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride?
The IUPAC name of (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride (CID 138392534) is (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride.
What is the SMILES notation for (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride?
The canonical SMILES for (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride is CN1C2COC(C2)C1CO.Cl.
What is the InChIKey of (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride?
The InChIKey is QCLVJJJJKNZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-5-2-7(10-4-5)6(8)3-9;/h5-7,9H,2-4H2,1H3;1H.
What are the key properties of (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride?
(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride is sourced from PubChem (CID 138392534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).