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

C25H30N4O2Si — CID 10928421

IUPAC(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H]2C[C@@]23C[C@H](N=[N+]=[N-])C(=O)N13)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N4O2Si/c1-24(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)31-17-19-14-18-15-25(18)16-22(27-28-26)23(30)29(19)25/h4-13,18-19,22H,14-17H2,1-3H3/t18-,19-,22+,25-/m1/s1
InChIKeyAJDJSXXQVFBXPU-YRQXSORESA-N
MW446.63 g/mol
LogP4.01
Rot. Bonds6

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

(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one (PubChem CID 10928421) has the molecular formula C25H30N4O2Si and a molecular weight of 446.63 g/mol. Its IUPAC name is (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one.

Molecular Properties

Compound Name(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one
PubChem CID10928421
Molecular FormulaC25H30N4O2Si
Molecular Weight446.63 g/mol
Exact Mass446.21
IUPAC Name(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H]2C[C@@]23C[C@H](N=[N+]=[N-])C(=O)N13)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N4O2Si/c1-24(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)31-17-19-14-18-15-25(18)16-22(27-28-26)23(30)29(19)25/h4-13,18-19,22H,14-17H2,1-3H3/t18-,19-,22+,25-/m1/s1
InChIKeyAJDJSXXQVFBXPU-YRQXSORESA-N
XLogP4.01
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(1R,3R,5R,8S)-8-azido-5-(hydroxymethyl)-6-azatricyclo[4.3.0.01,3]nonan-7-one
CID 10932681
[(2S,4R)-4-azido-1-methylsulfonylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
CID 140846362
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
1-[(3S,5S)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101196334
11-azidoundecoxy-tert-butyl-diphenylsilane
CID 138986552
9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
tert-butyl-[[(2S)-5-methoxy-6-oxa-1-azabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 177426805
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
ethyl 5-azido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 134831448
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The IUPAC name of (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one (CID 10928421) is (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one.
What is the SMILES notation for (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The canonical SMILES for (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one is CC(C)(C)[Si](OC[C@H]1C[C@@H]2C[C@@]23C[C@H](N=[N+]=[N-])C(=O)N13)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The InChIKey is AJDJSXXQVFBXPU-YRQXSORESA-N. The full InChI is InChI=1S/C25H30N4O2Si/c1-24(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)31-17-19-14-18-15-25(18)16-22(27-28-26)23(30)29(19)25/h4-13,18-19,22H,14-17H2,1-3H3/t18-,19-,22+,25-/m1/s1.
What are the key properties of (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one?
(1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one has a molecular weight of 446.63 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,8S)-8-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azatricyclo[4.3.0.01,3]nonan-7-one is sourced from PubChem (CID 10928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).