2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H31N3 — CID 79923618

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C1CCN2CCCCC12
InChIInChI=1S/C17H31N3/c1-2-14-12-19-10-5-6-15(19)13-20(14)17-8-11-18-9-4-3-7-16(17)18/h14-17H,2-13H2,1H3
InChIKeyINZIUGBNLBEETE-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.17
Rot. Bonds2

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79923618) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79923618
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C1CCN2CCCCC12
InChIInChI=1S/C17H31N3/c1-2-14-12-19-10-5-6-15(19)13-20(14)17-8-11-18-9-4-3-7-16(17)18/h14-17H,2-13H2,1H3
InChIKeyINZIUGBNLBEETE-UHFFFAOYSA-N
XLogP2.17
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925986
3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923995
3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939774
3-ethyl-2-(2,4,5-trifluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938956
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931622
2-(2-chloro-4-fluorophenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926838
3-ethyl-2-(4-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926226
3-ethyl-2-(2-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917902
3-ethyl-2-(2,3,5-trifluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915973

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79923618) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1C1CCN2CCCCC12.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is INZIUGBNLBEETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-14-12-19-10-5-6-15(19)13-20(14)17-8-11-18-9-4-3-7-16(17)18/h14-17H,2-13H2,1H3.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 277.46 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79923618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).