(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one

C24H32N2O2Si — CID 57190709

IUPAC(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one
SMILESC[C@@H]1NC2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CN2C1=O
InChIInChI=1S/C24H32N2O2Si/c1-18-23(27)26-17-19(15-16-22(26)25-18)28-29(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22,25H,15-17H2,1-4H3/t18-,19-,22?/m0/s1
InChIKeyJLTAOYICMVOQGE-NVPCEHRXSA-N
MW408.62 g/mol
LogP2.87
Rot. Bonds4

About (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one

(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one (PubChem CID 57190709) has the molecular formula C24H32N2O2Si and a molecular weight of 408.62 g/mol. Its IUPAC name is (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one
PubChem CID57190709
Molecular FormulaC24H32N2O2Si
Molecular Weight408.62 g/mol
Exact Mass408.22
IUPAC Name(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one
SMILESC[C@@H]1NC2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CN2C1=O
InChIInChI=1S/C24H32N2O2Si/c1-18-23(27)26-17-19(15-16-22(26)25-18)28-29(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22,25H,15-17H2,1-4H3/t18-,19-,22?/m0/s1
InChIKeyJLTAOYICMVOQGE-NVPCEHRXSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one?
The IUPAC name of (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one (CID 57190709) is (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one is C[C@@H]1NC2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CN2C1=O.
What is the InChIKey of (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one?
The InChIKey is JLTAOYICMVOQGE-NVPCEHRXSA-N. The full InChI is InChI=1S/C24H32N2O2Si/c1-18-23(27)26-17-19(15-16-22(26)25-18)28-29(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22,25H,15-17H2,1-4H3/t18-,19-,22?/m0/s1.
What are the key properties of (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one?
(2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one has a molecular weight of 408.62 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 57190709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).