spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride

C9H16ClNO — CID 138987524

IUPACspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride
SMILESC1CC2(CCN1)OCC1CC12.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-10-4-2-9(1)8-5-7(8)6-11-9;/h7-8,10H,1-6H2;1H
InChIKeyLZSPVJUJRHRHMY-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.20
Rot. Bonds

About spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride

spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride (PubChem CID 138987524) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Namespiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride
PubChem CID138987524
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Namespiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride
SMILESC1CC2(CCN1)OCC1CC12.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-10-4-2-9(1)8-5-7(8)6-11-9;/h7-8,10H,1-6H2;1H
InChIKeyLZSPVJUJRHRHMY-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride?
The IUPAC name of spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride (CID 138987524) is spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride.
What is the SMILES notation for spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride?
The canonical SMILES for spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride is C1CC2(CCN1)OCC1CC12.Cl.
What is the InChIKey of spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride?
The InChIKey is LZSPVJUJRHRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-3-10-4-2-9(1)8-5-7(8)6-11-9;/h7-8,10H,1-6H2;1H.
What are the key properties of spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride?
spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 138987524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).