(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

C15H30N2O2Si — CID 66669442

IUPAC(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1C(=O)[C@@H]2CCCN2C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30N2O2Si/c1-15(2,3)20(5,6)19-11-12-10-17-9-7-8-13(17)14(18)16(12)4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyKRNLDGREVSUHFN-STQMWFEESA-N
MW298.50 g/mol
LogP2.31
Rot. Bonds3

About (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 66669442) has the molecular formula C15H30N2O2Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID66669442
Molecular FormulaC15H30N2O2Si
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1C(=O)[C@@H]2CCCN2C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30N2O2Si/c1-15(2,3)20(5,6)19-11-12-10-17-9-7-8-13(17)14(18)16(12)4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1
InChIKeyKRNLDGREVSUHFN-STQMWFEESA-N
XLogP2.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one 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 (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 66669442) is (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is CN1C(=O)[C@@H]2CCCN2C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is KRNLDGREVSUHFN-STQMWFEESA-N. The full InChI is InChI=1S/C15H30N2O2Si/c1-15(2,3)20(5,6)19-11-12-10-17-9-7-8-13(17)14(18)16(12)4/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
(3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 298.50 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 66669442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).