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

C17H26N2O — CID 79308881

IUPAC3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1CCOc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-15-13-18-10-6-7-16(18)14-19(15)11-12-20-17-8-4-3-5-9-17/h3-5,8-9,15-16H,2,6-7,10-14H2,1H3
InChIKeyZGBHDFJOANIJGP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds5

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

3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79308881) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79308881
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1CCOc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-15-13-18-10-6-7-16(18)14-19(15)11-12-20-17-8-4-3-5-9-17/h3-5,8-9,15-16H,2,6-7,10-14H2,1H3
InChIKeyZGBHDFJOANIJGP-UHFFFAOYSA-N
XLogP2.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79308881) is 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1CCOc1ccccc1.
What is the InChIKey of 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ZGBHDFJOANIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-15-13-18-10-6-7-16(18)14-19(15)11-12-20-17-8-4-3-5-9-17/h3-5,8-9,15-16H,2,6-7,10-14H2,1H3.
What are the key properties of 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).