5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one

C16H21NO3 — CID 123449596

IUPAC5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C2=CCC3(CC2)OCCO3)c[nH]c1=O
InChIInChI=1S/C16H21NO3/c1-11(2)14-9-13(10-17-15(14)18)12-3-5-16(6-4-12)19-7-8-20-16/h3,9-11H,4-8H2,1-2H3,(H,17,18)
InChIKeyKNRCRSRRYQDJCR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 123449596) 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)-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one
PubChem CID123449596
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C2=CCC3(CC2)OCCO3)c[nH]c1=O
InChIInChI=1S/C16H21NO3/c1-11(2)14-9-13(10-17-15(14)18)12-3-5-16(6-4-12)19-7-8-20-16/h3,9-11H,4-8H2,1-2H3,(H,17,18)
InChIKeyKNRCRSRRYQDJCR-UHFFFAOYSA-N
XLogP2.81
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
CID 66750331
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1-propan-2-ylpyridin-2-one
CID 59541867
8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
CID 134381562
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile;ethane
CID 142251345
2-[5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-oxo-1-pyridinyl]acetonitrile
CID 87134664
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-nitro-1H-indole
CID 57384806
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine
CID 141283297
1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
7-amino-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methyl-3H-isoindol-1-one
CID 67255363
1,4-dioxaspiro[4.5]dec-7-ene-8-thiol
CID 141171889
3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 172645494

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one (CID 123449596) is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc(C2=CCC3(CC2)OCCO3)c[nH]c1=O.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is KNRCRSRRYQDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)14-9-13(10-17-15(14)18)12-3-5-16(6-4-12)19-7-8-20-16/h3,9-11H,4-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one?
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.81, 2 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)-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 123449596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).