3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one

C15H21F2N3O — CID 156711796

IUPAC3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC2)CCC(F)(F)C3)c(=O)[nH]1
InChIInChI=1S/C15H21F2N3O/c1-2-11-9-18-12(13(21)19-11)20-7-5-14(6-8-20)3-4-15(16,17)10-14/h9H,2-8,10H2,1H3,(H,19,21)
InChIKeyQNNUXYQXDUVDKC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.74
Rot. Bonds2

About 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one

3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one (PubChem CID 156711796) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
PubChem CID156711796
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CC2)CCC(F)(F)C3)c(=O)[nH]1
InChIInChI=1S/C15H21F2N3O/c1-2-11-9-18-12(13(21)19-11)20-7-5-14(6-8-20)3-4-15(16,17)10-14/h9H,2-8,10H2,1H3,(H,19,21)
InChIKeyQNNUXYQXDUVDKC-UHFFFAOYSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one (CID 156711796) is 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one is CCc1cnc(N2CCC3(CC2)CCC(F)(F)C3)c(=O)[nH]1.
What is the InChIKey of 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
The InChIKey is QNNUXYQXDUVDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-2-11-9-18-12(13(21)19-11)20-7-5-14(6-8-20)3-4-15(16,17)10-14/h9H,2-8,10H2,1H3,(H,19,21).
What are the key properties of 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one?
3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one is sourced from PubChem (CID 156711796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).