(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one

C22H27NO2Si — CID 164842712

IUPAC(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-20-18-14-19(18)21(24)23-20/h4-13,18-20H,14-15H2,1-3H3,(H,23,24)/t18-,19+,20-/m1/s1
InChIKeyUXLXBUGGLVWNPV-HSALFYBXSA-N
MW365.55 g/mol
LogP2.70
Rot. Bonds5

About (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one

(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 164842712) has the molecular formula C22H27NO2Si and a molecular weight of 365.55 g/mol. Its IUPAC name is (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID164842712
Molecular FormulaC22H27NO2Si
Molecular Weight365.55 g/mol
Exact Mass365.18
IUPAC Name(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-20-18-14-19(18)21(24)23-20/h4-13,18-20H,14-15H2,1-3H3,(H,23,24)/t18-,19+,20-/m1/s1
InChIKeyUXLXBUGGLVWNPV-HSALFYBXSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(3R,4S,5R)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-[dimethyl(phenyl)silyl]-3-methylpyrrolidin-2-one
CID 10768172
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 138981408
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
5-(tert-Butyldiphenylsiloxymethyl)pyrrolidine-2-one
CID 58011546
(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
CID 59094993
5-(Triphenylsilyloxymethyl)pyrrolidin-2-one
CID 139660304
5-[Tris[(4-methylphenyl)methyl]silyloxymethyl]pyrrolidin-2-one
CID 139660328

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 164842712) is (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one is CC(C)(C)[Si](OC[C@H]1NC(=O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is UXLXBUGGLVWNPV-HSALFYBXSA-N. The full InChI is InChI=1S/C22H27NO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-20-18-14-19(18)21(24)23-20/h4-13,18-20H,14-15H2,1-3H3,(H,23,24)/t18-,19+,20-/m1/s1.
What are the key properties of (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one?
(1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 365.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 164842712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).