(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate

C11H19NO3 — CID 15009347

IUPAC(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate
SMILESCC(=O)OC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C11H19NO3/c1-9(13)15-10-7-11(14-8-10)3-5-12(2)6-4-11/h10H,3-8H2,1-2H3
InChIKeyLXFNRPNHRMCSOS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds1

About (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate

(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate (PubChem CID 15009347) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate.

Molecular Properties

Compound Name(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate
PubChem CID15009347
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate
SMILESCC(=O)OC1COC2(CCN(C)CC2)C1
InChIInChI=1S/C11H19NO3/c1-9(13)15-10-7-11(14-8-10)3-5-12(2)6-4-11/h10H,3-8H2,1-2H3
InChIKeyLXFNRPNHRMCSOS-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate?
The IUPAC name of (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate (CID 15009347) is (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate.
What is the SMILES notation for (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate?
The canonical SMILES for (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate is CC(=O)OC1COC2(CCN(C)CC2)C1.
What is the InChIKey of (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate?
The InChIKey is LXFNRPNHRMCSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)15-10-7-11(14-8-10)3-5-12(2)6-4-11/h10H,3-8H2,1-2H3.
What are the key properties of (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate?
(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate has a molecular weight of 213.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl) acetate is sourced from PubChem (CID 15009347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).