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

C9H15NO2 — CID 13432445

IUPAC3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCCC2)OC1=O
InChIInChI=1S/C9H15NO2/c1-10-7-9(12-8(10)11)5-3-2-4-6-9/h2-7H2,1H3
InChIKeyUTLHDXPMIGUFPI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.77
Rot. Bonds

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

3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 13432445) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID13432445
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCCC2)OC1=O
InChIInChI=1S/C9H15NO2/c1-10-7-9(12-8(10)11)5-3-2-4-6-9/h2-7H2,1H3
InChIKeyUTLHDXPMIGUFPI-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 13432445) is 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CN1CC2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is UTLHDXPMIGUFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-7-9(12-8(10)11)5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 13432445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).