4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one

C11H19NO3 — CID 165462680

IUPAC4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one
SMILESCOC(C)C1CC(=O)NC12CCOCC2
InChIInChI=1S/C11H19NO3/c1-8(14-2)9-7-10(13)12-11(9)3-5-15-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXAQFTNNERCHQME-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds2

About 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one

4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one (PubChem CID 165462680) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one
PubChem CID165462680
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one
SMILESCOC(C)C1CC(=O)NC12CCOCC2
InChIInChI=1S/C11H19NO3/c1-8(14-2)9-7-10(13)12-11(9)3-5-15-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXAQFTNNERCHQME-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one (CID 165462680) is 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one is COC(C)C1CC(=O)NC12CCOCC2.
What is the InChIKey of 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one?
The InChIKey is XAQFTNNERCHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(14-2)9-7-10(13)12-11(9)3-5-15-6-4-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one?
4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-8-oxa-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 165462680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).