4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one

C14H17NO3 — CID 71451771

IUPAC4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCCC2)C(COc2ccccc2)O1
InChIInChI=1S/C14H17NO3/c16-13-15-14(8-4-5-9-14)12(18-13)10-17-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyHWLOOOYAZDFZEL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.49
Rot. Bonds3

About 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one

4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one (PubChem CID 71451771) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one
PubChem CID71451771
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one
SMILESO=C1NC2(CCCC2)C(COc2ccccc2)O1
InChIInChI=1S/C14H17NO3/c16-13-15-14(8-4-5-9-14)12(18-13)10-17-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyHWLOOOYAZDFZEL-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one (CID 71451771) is 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one is O=C1NC2(CCCC2)C(COc2ccccc2)O1.
What is the InChIKey of 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
The InChIKey is HWLOOOYAZDFZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-15-14(8-4-5-9-14)12(18-13)10-17-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16).
What are the key properties of 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one?
4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-3-oxa-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 71451771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).