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

C25H33NO2Si — CID 175570904

IUPAC(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@H]1CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C25H33NO2Si/c1-20-18-25(16-11-17-26(25)23(20)27)19-28-29(24(2,3)4,21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,25?/m0/s1
InChIKeyPAKRATPILJWTFK-JINQPTGOSA-N
MW407.63 g/mol
LogP3.96
Rot. Bonds5

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

(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175570904) has the molecular formula C25H33NO2Si and a molecular weight of 407.63 g/mol. Its IUPAC name is (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175570904
Molecular FormulaC25H33NO2Si
Molecular Weight407.63 g/mol
Exact Mass407.23
IUPAC Name(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@H]1CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O
InChIInChI=1S/C25H33NO2Si/c1-20-18-25(16-11-17-26(25)23(20)27)19-28-29(24(2,3)4,21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,25?/m0/s1
InChIKeyPAKRATPILJWTFK-JINQPTGOSA-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'}

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

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 167381124
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
(2S,6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-(prop-2-enoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 176790512
tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 157399412
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243

Frequently Asked Questions

What is the IUPAC name of (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 175570904) is (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@H]1CC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCCN2C1=O.
What is the InChIKey of (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is PAKRATPILJWTFK-JINQPTGOSA-N. The full InChI is InChI=1S/C25H33NO2Si/c1-20-18-25(16-11-17-26(25)23(20)27)19-28-29(24(2,3)4,21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,20H,11,16-19H2,1-4H3/t20-,25?/m0/s1.
What are the key properties of (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-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 (2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175570904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).