(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one

C28H37NO2Si — CID 10983185

IUPAC(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCCC[C@H]1C[C@]23C[C@H]2C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3C1=O
InChIInChI=1S/C28H37NO2Si/c1-5-12-21-18-28-19-22(28)17-23(29(28)26(21)30)20-31-32(27(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,21-23H,5,12,17-20H2,1-4H3/t21-,22+,23+,28-/m0/s1
InChIKeyNFQKGHAMYFBYNP-FPZRTEDSSA-N
MW447.70 g/mol
LogP4.74
Rot. Bonds7

About (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one

(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one (PubChem CID 10983185) has the molecular formula C28H37NO2Si and a molecular weight of 447.70 g/mol. Its IUPAC name is (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one.

Molecular Properties

Compound Name(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one
PubChem CID10983185
Molecular FormulaC28H37NO2Si
Molecular Weight447.70 g/mol
Exact Mass447.26
IUPAC Name(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCCC[C@H]1C[C@]23C[C@H]2C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3C1=O
InChIInChI=1S/C28H37NO2Si/c1-5-12-21-18-28-19-22(28)17-23(29(28)26(21)30)20-31-32(27(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,21-23H,5,12,17-20H2,1-4H3/t21-,22+,23+,28-/m0/s1
InChIKeyNFQKGHAMYFBYNP-FPZRTEDSSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.70
LogP ≤ 54.74
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

(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 172288007
(6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluorospiro[1,5,6,7-tetrahydropyrrolizine-2,1'-cyclopropane]-3-one
CID 172288009
(1R,8R)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-fluoro-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 172288068
(2R,6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 172288425
(2S,6R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 172288627
7a-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethylhexahydro-3H-pyrrolizin-3-one
CID 156645518
7a-(((tert-Butyldiphenylsilyl)oxy)methyl)hexahydro-3H-pyrrolizin-3-one
CID 156645528
rel-(2R,7aS)-7a-(((tert-Butyldiphenylsilyl)oxy)methyl)-2-methylhexahydro-3H-pyrrolizin-3-one
CID 156645720
7a-(((tert-Butyldiphenylsilyl)oxy)methyl)-2-methylhexahydro-3H-pyrrolizin-3-one
CID 156645761
(6S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 174032788
(2S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 175570904
3-[(3S,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]propanal
CID 176339811

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The IUPAC name of (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one (CID 10983185) is (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one.
What is the SMILES notation for (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The canonical SMILES for (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one is CCC[C@H]1C[C@]23C[C@H]2C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N3C1=O.
What is the InChIKey of (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The InChIKey is NFQKGHAMYFBYNP-FPZRTEDSSA-N. The full InChI is InChI=1S/C28H37NO2Si/c1-5-12-21-18-28-19-22(28)17-23(29(28)26(21)30)20-31-32(27(2,3)4,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-11,13-16,21-23H,5,12,17-20H2,1-4H3/t21-,22+,23+,28-/m0/s1.
What are the key properties of (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one?
(1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one has a molecular weight of 447.70 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,8S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-propyl-6-azatricyclo[4.3.0.01,3]nonan-7-one is sourced from PubChem (CID 10983185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).