methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride

C11H20ClNO2 — CID 138039802

IUPACmethyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(CCCCC2)CN1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-14-10(13)9-7-11(8-12-9)5-3-2-4-6-11;/h9,12H,2-8H2,1H3;1H
InChIKeyXXQYVNQWEUZEPP-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds1

About methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride

methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride (PubChem CID 138039802) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride
PubChem CID138039802
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CC2(CCCCC2)CN1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-14-10(13)9-7-11(8-12-9)5-3-2-4-6-11;/h9,12H,2-8H2,1H3;1H
InChIKeyXXQYVNQWEUZEPP-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride (CID 138039802) is methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride is COC(=O)C1CC2(CCCCC2)CN1.Cl.
What is the InChIKey of methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The InChIKey is XXQYVNQWEUZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-14-10(13)9-7-11(8-12-9)5-3-2-4-6-11;/h9,12H,2-8H2,1H3;1H.
What are the key properties of methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azaspiro[4.5]decane-3-carboxylate;hydrochloride is sourced from PubChem (CID 138039802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).