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

C9H15NO2 — CID 10464720

IUPAC2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCNCC2)O1
InChIInChI=1S/C9H15NO2/c1-7-6-8(11)9(12-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3
InChIKeyPQNUARALJGDHQK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.49
Rot. Bonds

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

2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one (PubChem CID 10464720) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
PubChem CID10464720
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCNCC2)O1
InChIInChI=1S/C9H15NO2/c1-7-6-8(11)9(12-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3
InChIKeyPQNUARALJGDHQK-UHFFFAOYSA-N
XLogP0.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.49
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?
The IUPAC name of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one (CID 10464720) is 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one?
The canonical SMILES for 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one is CC1CC(=O)C2(CCNCC2)O1.
What is the InChIKey of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one?
The InChIKey is PQNUARALJGDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-6-8(11)9(12-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3.
What are the key properties of 2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one?
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one has a molecular weight of 169.22 g/mol, XLogP of 0.49, 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 is sourced from PubChem (CID 10464720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).