[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride

C6H12ClNO — CID 126969951

IUPAC[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1NC[C@@H]2C[C@H]21
InChIInChI=1S/C6H11NO.ClH/c8-3-6-5-1-4(5)2-7-6;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1
InChIKeyYGLZZVXDLDVFDA-FPKZOZHISA-N
MW149.62 g/mol
LogP0.01
Rot. Bonds1

About [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride

[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride (PubChem CID 126969951) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
PubChem CID126969951
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
SMILESCl.OC[C@H]1NC[C@@H]2C[C@H]21
InChIInChI=1S/C6H11NO.ClH/c8-3-6-5-1-4(5)2-7-6;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1
InChIKeyYGLZZVXDLDVFDA-FPKZOZHISA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 98119965
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
[(2S)-4-[(2R)-2-methylcyclopropyl]pyrrolidin-2-yl]methanol
CID 89000503
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 140501526
tert-butyl 2-(3-azabicyclo[3.1.0]hexan-2-ylmethylamino)propanoate
CID 139647579
[(1S,2R,5R)-3-azabicyclo[3.2.0]hept-6-en-2-yl]methanol;hydrochloride
CID 170918285
[(2S,3S)-3-prop-2-enylazetidin-2-yl]methanol
CID 131014550
(2-ethylazetidin-3-yl)methanol
CID 105427056
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride?
The IUPAC name of [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride (CID 126969951) is [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride?
The canonical SMILES for [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride is Cl.OC[C@H]1NC[C@@H]2C[C@H]21.
What is the InChIKey of [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride?
The InChIKey is YGLZZVXDLDVFDA-FPKZOZHISA-N. The full InChI is InChI=1S/C6H11NO.ClH/c8-3-6-5-1-4(5)2-7-6;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1.
What are the key properties of [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride?
[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 126969951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).