2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride

C7H14ClNO — CID 137347461

IUPAC2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride
SMILESCl.OCC1NC2CCC1C2
InChIInChI=1S/C7H13NO.ClH/c9-4-7-5-1-2-6(3-5)8-7;/h5-9H,1-4H2;1H
InChIKeyJHYZAAUVMSVEQD-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.54
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride

2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride (PubChem CID 137347461) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride
PubChem CID137347461
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride
SMILESCl.OCC1NC2CCC1C2
InChIInChI=1S/C7H13NO.ClH/c9-4-7-5-1-2-6(3-5)8-7;/h5-9H,1-4H2;1H
InChIKeyJHYZAAUVMSVEQD-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride (CID 137347461) is 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride is Cl.OCC1NC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride?
The InChIKey is JHYZAAUVMSVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c9-4-7-5-1-2-6(3-5)8-7;/h5-9H,1-4H2;1H.
What are the key properties of 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride?
2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-3-ylmethanol;hydrochloride is sourced from PubChem (CID 137347461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).