8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one

C11H19NO2 — CID 157291637

IUPAC8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CC1)CC(C)OC2=O
InChIInChI=1S/C11H19NO2/c1-3-12-6-4-11(5-7-12)8-9(2)14-10(11)13/h9H,3-8H2,1-2H3
InChIKeyBAWIVRZVXKXUJR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds1

About 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one

8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 157291637) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID157291637
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CC1)CC(C)OC2=O
InChIInChI=1S/C11H19NO2/c1-3-12-6-4-11(5-7-12)8-9(2)14-10(11)13/h9H,3-8H2,1-2H3
InChIKeyBAWIVRZVXKXUJR-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one (CID 157291637) is 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one is CCN1CCC2(CC1)CC(C)OC2=O.
What is the InChIKey of 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is BAWIVRZVXKXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-12-6-4-11(5-7-12)8-9(2)14-10(11)13/h9H,3-8H2,1-2H3.
What are the key properties of 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one?
8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 157291637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).