2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride

C9H16ClNO2 — CID 23356732

IUPAC2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1CC(=O)C2(CCNCC2)O1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-7-6-8(11)9(12-7)2-4-10-5-3-9;/h7,10H,2-6H2,1H3;1H
InChIKeyBCAIUBPISKSZCH-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.91
Rot. Bonds

About 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride

2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 23356732) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride
PubChem CID23356732
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1CC(=O)C2(CCNCC2)O1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-7-6-8(11)9(12-7)2-4-10-5-3-9;/h7,10H,2-6H2,1H3;1H
InChIKeyBCAIUBPISKSZCH-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride (CID 23356732) is 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride is CC1CC(=O)C2(CCNCC2)O1.Cl.
What is the InChIKey of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is BCAIUBPISKSZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-7-6-8(11)9(12-7)2-4-10-5-3-9;/h7,10H,2-6H2,1H3;1H.
What are the key properties of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride?
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 23356732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).