(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride

C6H12ClNO — CID 118998031

IUPAC(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
SMILESCl.O[C@@H]1C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C6H11NO.ClH/c8-6-3-4-1-2-5(6)7-4;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1
InChIKeyYNVTZOIAXSPRQO-FPKZOZHISA-N
MW149.62 g/mol
LogP0.29
Rot. Bonds

About (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride

(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride (PubChem CID 118998031) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
PubChem CID118998031
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
SMILESCl.O[C@@H]1C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C6H11NO.ClH/c8-6-3-4-1-2-5(6)7-4;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1
InChIKeyYNVTZOIAXSPRQO-FPKZOZHISA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The IUPAC name of (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride (CID 118998031) is (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The canonical SMILES for (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride is Cl.O[C@@H]1C[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The InChIKey is YNVTZOIAXSPRQO-FPKZOZHISA-N. The full InChI is InChI=1S/C6H11NO.ClH/c8-6-3-4-1-2-5(6)7-4;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1.
What are the key properties of (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride is sourced from PubChem (CID 118998031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).