5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one

C16H21NO3 — CID 59541867

IUPAC5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2=CCC3(CC2)OCCO3)ccc1=O
InChIInChI=1S/C16H21NO3/c1-12(2)17-11-14(3-4-15(17)18)13-5-7-16(8-6-13)19-9-10-20-16/h3-5,11-12H,6-10H2,1-2H3
InChIKeyMQVDSKUQPWRQCY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.74
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one (PubChem CID 59541867) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one
PubChem CID59541867
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2=CCC3(CC2)OCCO3)ccc1=O
InChIInChI=1S/C16H21NO3/c1-12(2)17-11-14(3-4-15(17)18)13-5-7-16(8-6-13)19-9-10-20-16/h3-5,11-12H,6-10H2,1-2H3
InChIKeyMQVDSKUQPWRQCY-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one (CID 59541867) is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(C2=CCC3(CC2)OCCO3)ccc1=O.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one?
The InChIKey is MQVDSKUQPWRQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)17-11-14(3-4-15(17)18)13-5-7-16(8-6-13)19-9-10-20-16/h3-5,11-12H,6-10H2,1-2H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one?
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 59541867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).