5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one

C15H19NO5 — CID 56864911

IUPAC5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCC3(CCCO3)CC2)cc1=O
InChIInChI=1S/C15H19NO5/c1-19-13-10-20-12(9-11(13)17)14(18)16-6-4-15(5-7-16)3-2-8-21-15/h9-10H,2-8H2,1H3
InChIKeyOXBFQGVXKGIOJX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.43
Rot. Bonds2

About 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one

5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one (PubChem CID 56864911) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one
PubChem CID56864911
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCC3(CCCO3)CC2)cc1=O
InChIInChI=1S/C15H19NO5/c1-19-13-10-20-12(9-11(13)17)14(18)16-6-4-15(5-7-16)3-2-8-21-15/h9-10H,2-8H2,1H3
InChIKeyOXBFQGVXKGIOJX-UHFFFAOYSA-N
XLogP1.43
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one (CID 56864911) is 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCC3(CCCO3)CC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one?
The InChIKey is OXBFQGVXKGIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-13-10-20-12(9-11(13)17)14(18)16-6-4-15(5-7-16)3-2-8-21-15/h9-10H,2-8H2,1H3.
What are the key properties of 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one?
5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one has a molecular weight of 293.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)pyran-4-one is sourced from PubChem (CID 56864911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).