(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C11H20ClNO2Si — CID 11108122

IUPAC(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[Si](C)(C)O[C@@H]1C[C@H](Cl)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C11H20ClNO2Si/c1-16(2,3)15-10-7-8(12)11(14)13-6-4-5-9(10)13/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyFCTSWXDIIACCOO-LPEHRKFASA-N
MW261.82 g/mol
LogP2.21
Rot. Bonds2

About (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 11108122) has the molecular formula C11H20ClNO2Si and a molecular weight of 261.82 g/mol. Its IUPAC name is (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID11108122
Molecular FormulaC11H20ClNO2Si
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC[Si](C)(C)O[C@@H]1C[C@H](Cl)C(=O)N2CCC[C@@H]12
InChIInChI=1S/C11H20ClNO2Si/c1-16(2,3)15-10-7-8(12)11(14)13-6-4-5-9(10)13/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyFCTSWXDIIACCOO-LPEHRKFASA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(2R,6R,8S,8aR)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10812521
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10836358
(6R,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10901407
(2R,6R,8R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-iodo-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101022365
(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 102250862

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 11108122) is (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is C[Si](C)(C)O[C@@H]1C[C@H](Cl)C(=O)N2CCC[C@@H]12.
What is the InChIKey of (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is FCTSWXDIIACCOO-LPEHRKFASA-N. The full InChI is InChI=1S/C11H20ClNO2Si/c1-16(2,3)15-10-7-8(12)11(14)13-6-4-5-9(10)13/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 261.82 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 11108122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).