[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride

C6H12ClNO — CID 89440263

IUPAC[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
SMILESCl.OCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c8-3-6-4-1-7-2-5(4)6;/h4-8H,1-3H2;1H/t4-,5+,6?;
InChIKeyKYSZLSYGLCGLOS-FTEHNKOGSA-N
MW149.62 g/mol
LogP-0.13
Rot. Bonds1

About [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride

[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride (PubChem CID 89440263) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
PubChem CID89440263
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
SMILESCl.OCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c8-3-6-4-1-7-2-5(4)6;/h4-8H,1-3H2;1H/t4-,5+,6?;
InChIKeyKYSZLSYGLCGLOS-FTEHNKOGSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride (CID 89440263) is [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride is Cl.OCC1[C@H]2CNC[C@@H]12.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride?
The InChIKey is KYSZLSYGLCGLOS-FTEHNKOGSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c8-3-6-4-1-7-2-5(4)6;/h4-8H,1-3H2;1H/t4-,5+,6?;.
What are the key properties of [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride?
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride is sourced from PubChem (CID 89440263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).