(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride

C5H10ClNO — CID 126969342

IUPAC(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
SMILESC1O[C@@H]2CN[C@@H]1C2.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyZFOKPFPITUUCJX-JBUOLDKXSA-N
MW135.59 g/mol
LogP0.17
Rot. Bonds

About (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride

(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 126969342) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID126969342
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
SMILESC1O[C@@H]2CN[C@@H]1C2.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyZFOKPFPITUUCJX-JBUOLDKXSA-N
XLogP0.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride (CID 126969342) is (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride is C1O[C@@H]2CN[C@@H]1C2.Cl.
What is the InChIKey of (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is ZFOKPFPITUUCJX-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4;/h4-6H,1-3H2;1H/t4-,5+;/m1./s1.
What are the key properties of (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride?
(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 126969342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).