(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one

C24H32N2O2Si — CID 156674365

IUPAC(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
SMILESCC(C)(C)[Si](OC1CC(=O)N[C@@H]2CNCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O2Si/c1-24(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-22-16-23(27)26-21-17-25-15-14-20(21)22/h4-13,20-22,25H,14-17H2,1-3H3,(H,26,27)/t20-,21+,22?/m0/s1
InChIKeyJOZYLYJCLNMYEF-UGGDCYSXSA-N
MW408.62 g/mol
LogP2.43
Rot. Bonds4

About (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one

(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one (PubChem CID 156674365) has the molecular formula C24H32N2O2Si and a molecular weight of 408.62 g/mol. Its IUPAC name is (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
PubChem CID156674365
Molecular FormulaC24H32N2O2Si
Molecular Weight408.62 g/mol
Exact Mass408.22
IUPAC Name(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
SMILESCC(C)(C)[Si](OC1CC(=O)N[C@@H]2CNCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O2Si/c1-24(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-22-16-23(27)26-21-17-25-15-14-20(21)22/h4-13,20-22,25H,14-17H2,1-3H3,(H,26,27)/t20-,21+,22?/m0/s1
InChIKeyJOZYLYJCLNMYEF-UGGDCYSXSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The IUPAC name of (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one (CID 156674365) is (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The canonical SMILES for (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one is CC(C)(C)[Si](OC1CC(=O)N[C@@H]2CNCC[C@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
The InChIKey is JOZYLYJCLNMYEF-UGGDCYSXSA-N. The full InChI is InChI=1S/C24H32N2O2Si/c1-24(2,3)29(18-10-6-4-7-11-18,19-12-8-5-9-13-19)28-22-16-23(27)26-21-17-25-15-14-20(21)22/h4-13,20-22,25H,14-17H2,1-3H3,(H,26,27)/t20-,21+,22?/m0/s1.
What are the key properties of (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one?
(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one has a molecular weight of 408.62 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 156674365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).