(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C25H33NO2Si — CID 174032788

IUPAC(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)CC[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H33NO2Si/c1-20-17-25(16-15-23(27)26(25)18-20)19-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20H,15-19H2,1-4H3/t20-,25-/m0/s1
InChIKeyRICFJRAGLNKRMW-CPJSRVTESA-N
MW407.63 g/mol
LogP3.96
Rot. Bonds5

About (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 174032788) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID174032788
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)CC[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H33NO2Si/c1-20-17-25(16-15-23(27)26(25)18-20)19-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20H,15-19H2,1-4H3/t20-,25-/m0/s1
InChIKeyRICFJRAGLNKRMW-CPJSRVTESA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 174032788) is (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@@H]1CN2C(=O)CC[C@@]2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is RICFJRAGLNKRMW-CPJSRVTESA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-20-17-25(16-15-23(27)26(25)18-20)19-28-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20H,15-19H2,1-4H3/t20-,25-/m0/s1.
What are the key properties of (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 407.63 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 174032788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).