3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one

C15H23N3O3 — CID 156711788

IUPAC3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)COCC3O)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)11-7-16-13(14(20)17-11)18-5-3-15(4-6-18)9-21-8-12(15)19/h7,10,12,19H,3-6,8-9H2,1-2H3,(H,17,20)
InChIKeyVIHYLOWONZTQCA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.87
Rot. Bonds2

About 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one

3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 156711788) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID156711788
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)COCC3O)c(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)11-7-16-13(14(20)17-11)18-5-3-15(4-6-18)9-21-8-12(15)19/h7,10,12,19H,3-6,8-9H2,1-2H3,(H,17,20)
InChIKeyVIHYLOWONZTQCA-UHFFFAOYSA-N
XLogP0.87
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one (CID 156711788) is 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCC3(CC2)COCC3O)c(=O)[nH]1.
What is the InChIKey of 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is VIHYLOWONZTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)11-7-16-13(14(20)17-11)18-5-3-15(4-6-18)9-21-8-12(15)19/h7,10,12,19H,3-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one?
3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 293.37 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 156711788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).