tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate

C19H36N2O4Si — CID 99864417

IUPACtert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCN2C1=O
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)20-13-9-10-14-15(11-12-21(14)16(13)22)25-26(7,8)19(4,5)6/h13-15H,9-12H2,1-8H3,(H,20,23)/t13-,14+,15-/m1/s1
InChIKeyJKXONINNQVGXEG-QLFBSQMISA-N
MW384.59 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate

tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate (PubChem CID 99864417) has the molecular formula C19H36N2O4Si and a molecular weight of 384.59 g/mol. Its IUPAC name is tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
PubChem CID99864417
Molecular FormulaC19H36N2O4Si
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Nametert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCN2C1=O
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)20-13-9-10-14-15(11-12-21(14)16(13)22)25-26(7,8)19(4,5)6/h13-15H,9-12H2,1-8H3,(H,20,23)/t13-,14+,15-/m1/s1
InChIKeyJKXONINNQVGXEG-QLFBSQMISA-N
XLogP3.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate (CID 99864417) is tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCN2C1=O.
What is the InChIKey of tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate?
The InChIKey is JKXONINNQVGXEG-QLFBSQMISA-N. The full InChI is InChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)20-13-9-10-14-15(11-12-21(14)16(13)22)25-26(7,8)19(4,5)6/h13-15H,9-12H2,1-8H3,(H,20,23)/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate?
tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate has a molecular weight of 384.59 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate is sourced from PubChem (CID 99864417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).