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

C14H21N3O2 — CID 156711719

IUPAC6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,16,18)
InChIKeyPMBTVVWFDJQGLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds2

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

6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (PubChem CID 156711719) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
PubChem CID156711719
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,16,18)
InChIKeyPMBTVVWFDJQGLW-UHFFFAOYSA-N
XLogP1.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The IUPAC name of 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (CID 156711719) is 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The canonical SMILES for 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is CCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The InChIKey is PMBTVVWFDJQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14/h9H,2-8,10H2,1H3,(H,16,18).
What are the key properties of 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 156711719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).