(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H27NO2Si — CID 170938843

IUPAC(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-15-11(10-12)6-7-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyMRTZBXAETCFBQP-NEPJUHHUSA-N
MW269.46 g/mol
LogP3.16
Rot. Bonds2

About (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 170938843) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID170938843
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-15-11(10-12)6-7-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyMRTZBXAETCFBQP-NEPJUHHUSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 15427514
(5R)-5-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-methylpyrrolidin-2-one
CID 135042206
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 145114026
(7S,8aS)-7-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 167154084
7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938801
(7S,8aS)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938845
(7R,8aS)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938893
(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938942
(8S,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10806008
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10934507
(1S,2R,8aS)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11795241

Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 170938843) is (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1.
What is the InChIKey of (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is MRTZBXAETCFBQP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-15-11(10-12)6-7-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 269.46 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 170938843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).