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

C16H27N3O2 — CID 156711718

IUPACethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCC.CCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2.C2H6/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14;1-2/h9H,2-8,10H2,1H3,(H,16,18);1-2H3
InChIKeyXKNJKJXEECZGQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.37
Rot. Bonds2

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

ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (PubChem CID 156711718) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Nameethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
PubChem CID156711718
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
SMILESCC.CCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2.C2H6/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14;1-2/h9H,2-8,10H2,1H3,(H,16,18);1-2H3
InChIKeyXKNJKJXEECZGQJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-tert-butyl-1H-pyrazin-2-one
CID 139526027
3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-tert-butyl-1H-pyrazin-2-one
CID 139526032
6-butan-2-yl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 139526071
3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
CID 147185025
3-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 156218746
3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 156218851
3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
CID 156218853
3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one;ethane
CID 156711700
3-(4-hydroxy-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-propan-2-yl-1H-pyrazin-2-one
CID 156711788
3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 166582777
3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-1H-pyrazin-2-one
CID 156711701
6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711719

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The IUPAC name of ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one (CID 156711718) is ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one.
What is the SMILES notation for ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The canonical SMILES for ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is CC.CCc1cnc(N2CCC3(CCOC3)CC2)c(=O)[nH]1.
What is the InChIKey of ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
The InChIKey is XKNJKJXEECZGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C2H6/c1-2-11-9-15-12(13(18)16-11)17-6-3-14(4-7-17)5-8-19-10-14;1-2/h9H,2-8,10H2,1H3,(H,16,18);1-2H3.
What are the key properties of ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one?
ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one has a molecular weight of 293.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 156711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).