1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one

C14H19NO3 — CID 59541137

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H19NO3/c1-11-2-3-13(16)15(10-11)12-4-6-14(7-5-12)17-8-9-18-14/h2-3,10,12H,4-9H2,1H3
InChIKeyTZWYKVVJOUIOEL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one

1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one (PubChem CID 59541137) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one
PubChem CID59541137
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(C2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H19NO3/c1-11-2-3-13(16)15(10-11)12-4-6-14(7-5-12)17-8-9-18-14/h2-3,10,12H,4-9H2,1H3
InChIKeyTZWYKVVJOUIOEL-UHFFFAOYSA-N
XLogP2.01
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one (CID 59541137) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one is Cc1ccc(=O)n(C2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one?
The InChIKey is TZWYKVVJOUIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-2-3-13(16)15(10-11)12-4-6-14(7-5-12)17-8-9-18-14/h2-3,10,12H,4-9H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methylpyridin-2-one is sourced from PubChem (CID 59541137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).