2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one

C12H21NO2 — CID 167428161

IUPAC2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one
SMILESCC(C)C1N(C)C(=O)CC12CCCCO2
InChIInChI=1S/C12H21NO2/c1-9(2)11-12(6-4-5-7-15-12)8-10(14)13(11)3/h9,11H,4-8H2,1-3H3
InChIKeyJHXIWMOAYFYJPZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds1

About 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one

2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 167428161) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID167428161
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one
SMILESCC(C)C1N(C)C(=O)CC12CCCCO2
InChIInChI=1S/C12H21NO2/c1-9(2)11-12(6-4-5-7-15-12)8-10(14)13(11)3/h9,11H,4-8H2,1-3H3
InChIKeyJHXIWMOAYFYJPZ-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one (CID 167428161) is 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one is CC(C)C1N(C)C(=O)CC12CCCCO2.
What is the InChIKey of 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is JHXIWMOAYFYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11-12(6-4-5-7-15-12)8-10(14)13(11)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one?
2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 211.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 167428161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).