[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride

C7H14ClNO — CID 136589502

IUPAC[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H]2CNC[C@H]12
InChIInChI=1S/C7H13NO.ClH/c9-4-6-1-5-2-8-3-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1
InChIKeyIGLYYXORKQCAHX-NLRFIBDTSA-N
MW163.65 g/mol
LogP0.26
Rot. Bonds1

About [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride

[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride (PubChem CID 136589502) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride
PubChem CID136589502
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H]2CNC[C@H]12
InChIInChI=1S/C7H13NO.ClH/c9-4-6-1-5-2-8-3-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1
InChIKeyIGLYYXORKQCAHX-NLRFIBDTSA-N
XLogP0.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride?
The IUPAC name of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride (CID 136589502) is [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride.
What is the SMILES notation for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride?
The canonical SMILES for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride is Cl.OC[C@@H]1C[C@@H]2CNC[C@H]12.
What is the InChIKey of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride?
The InChIKey is IGLYYXORKQCAHX-NLRFIBDTSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-4-6-1-5-2-8-3-7(5)6;/h5-9H,1-4H2;1H/t5-,6+,7+;/m1./s1.
What are the key properties of [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride?
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol;hydrochloride is sourced from PubChem (CID 136589502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).