1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane

C23H32N2OSi — CID 171498669

IUPAC1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCN2CCNCC12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2OSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-22-14-16-25-17-15-24-18-21(22)25/h4-13,21-22,24H,14-18H2,1-3H3
InChIKeyZSJANUODKMARPG-UHFFFAOYSA-N
MW380.61 g/mol
LogP2.61
Rot. Bonds4

About 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane (PubChem CID 171498669) has the molecular formula C23H32N2OSi and a molecular weight of 380.61 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane
PubChem CID171498669
Molecular FormulaC23H32N2OSi
Molecular Weight380.61 g/mol
Exact Mass380.23
IUPAC Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCN2CCNCC12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32N2OSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-22-14-16-25-17-15-24-18-21(22)25/h4-13,21-22,24H,14-18H2,1-3H3
InChIKeyZSJANUODKMARPG-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane (CID 171498669) is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC1CCN2CCNCC12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane?
The InChIKey is ZSJANUODKMARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-22-14-16-25-17-15-24-18-21(22)25/h4-13,21-22,24H,14-18H2,1-3H3.
What are the key properties of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane?
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane has a molecular weight of 380.61 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-8-yloxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 171498669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).