2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride

C5H10ClNO — CID 171036476

IUPAC2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride
SMILESCl.OC1C2CNC1C2
InChIInChI=1S/C5H9NO.ClH/c7-5-3-1-4(5)6-2-3;/h3-7H,1-2H2;1H
InChIKeyHITKNEKMZQIWDZ-UHFFFAOYSA-N
MW135.59 g/mol
LogP-0.24
Rot. Bonds

About 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride

2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride (PubChem CID 171036476) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride
PubChem CID171036476
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride
SMILESCl.OC1C2CNC1C2
InChIInChI=1S/C5H9NO.ClH/c7-5-3-1-4(5)6-2-3;/h3-7H,1-2H2;1H
InChIKeyHITKNEKMZQIWDZ-UHFFFAOYSA-N
XLogP-0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride (CID 171036476) is 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride is Cl.OC1C2CNC1C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride?
The InChIKey is HITKNEKMZQIWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c7-5-3-1-4(5)6-2-3;/h3-7H,1-2H2;1H.
What are the key properties of 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride?
2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-5-ol;hydrochloride is sourced from PubChem (CID 171036476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).