8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one

C11H19NO2 — CID 169145718

IUPAC8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C11H19NO2/c1-9(2)12-5-3-11(4-6-12)7-10(13)8-14-11/h9H,3-8H2,1-2H3
InChIKeyXYSVZJTZGHJDIQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds1

About 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one

8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one (PubChem CID 169145718) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one
PubChem CID169145718
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C11H19NO2/c1-9(2)12-5-3-11(4-6-12)7-10(13)8-14-11/h9H,3-8H2,1-2H3
InChIKeyXYSVZJTZGHJDIQ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one (CID 169145718) is 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one is CC(C)N1CCC2(CC1)CC(=O)CO2.
What is the InChIKey of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one?
The InChIKey is XYSVZJTZGHJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)12-5-3-11(4-6-12)7-10(13)8-14-11/h9H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one?
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 169145718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).