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

C13H15NO3 — CID 66750331

IUPAC5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2=CCC3(CC2)OCCO3)c[nH]1
InChIInChI=1S/C13H15NO3/c15-12-2-1-11(9-14-12)10-3-5-13(6-4-10)16-7-8-17-13/h1-3,9H,4-8H2,(H,14,15)
InChIKeyIRBOWELCALHZAI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds1

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

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one (PubChem CID 66750331) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
PubChem CID66750331
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2=CCC3(CC2)OCCO3)c[nH]1
InChIInChI=1S/C13H15NO3/c15-12-2-1-11(9-14-12)10-3-5-13(6-4-10)16-7-8-17-13/h1-3,9H,4-8H2,(H,14,15)
InChIKeyIRBOWELCALHZAI-UHFFFAOYSA-N
XLogP1.69
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one (CID 66750331) is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one is O=c1ccc(C2=CCC3(CC2)OCCO3)c[nH]1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one?
The InChIKey is IRBOWELCALHZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-2-1-11(9-14-12)10-3-5-13(6-4-10)16-7-8-17-13/h1-3,9H,4-8H2,(H,14,15).
What are the key properties of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one?
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one is sourced from PubChem (CID 66750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).