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

C18H28N2O — CID 79309851

IUPAC3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1CCCOc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-16-14-20-11-6-8-17(20)15-19(16)12-7-13-21-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3
InChIKeyULCZCPJUCGWSFY-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.01
Rot. Bonds6

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

3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79309851) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79309851
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1CCCOc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-16-14-20-11-6-8-17(20)15-19(16)12-7-13-21-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3
InChIKeyULCZCPJUCGWSFY-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79309851) is 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1CCCOc1ccccc1.
What is the InChIKey of 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ULCZCPJUCGWSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-16-14-20-11-6-8-17(20)15-19(16)12-7-13-21-18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3.
What are the key properties of 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 288.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79309851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).