methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate

C13H23NO3Si — CID 10825871

IUPACmethyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
SMILESCOC(=O)N1[C@@H]2CCC[C@H]1C=C(O[Si](C)(C)C)C2
InChIInChI=1S/C13H23NO3Si/c1-16-13(15)14-10-6-5-7-11(14)9-12(8-10)17-18(2,3)4/h8,10-11H,5-7,9H2,1-4H3/t10-,11+/m0/s1
InChIKeyFOMKOQLVSMNRNI-WDEREUQCSA-N
MW269.42 g/mol
LogP3.12
Rot. Bonds2

About methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate

methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (PubChem CID 10825871) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
PubChem CID10825871
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Namemethyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
SMILESCOC(=O)N1[C@@H]2CCC[C@H]1C=C(O[Si](C)(C)C)C2
InChIInChI=1S/C13H23NO3Si/c1-16-13(15)14-10-6-5-7-11(14)9-12(8-10)17-18(2,3)4/h8,10-11H,5-7,9H2,1-4H3/t10-,11+/m0/s1
InChIKeyFOMKOQLVSMNRNI-WDEREUQCSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate with MolForge

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Related Compounds

methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
trimethyl-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]oxy]silane
CID 10943782
tert-butyl 3-cyclohexyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973506
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
CID 11822148
tert-butyl 3-(3,3-dimethylbutyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973129
tert-butyl 3-(cyclopentylmethyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973508
tert-butyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171969488
tert-butyl 3-[2-(2-methoxyethoxy)ethyl]-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973101
tert-butyl 3-(pyridin-4-ylmethyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972710
tert-butyl 3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171973120
tert-butyl 3-(6-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171972695

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The IUPAC name of methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate (CID 10825871) is methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate.
What is the SMILES notation for methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The canonical SMILES for methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is COC(=O)N1[C@@H]2CCC[C@H]1C=C(O[Si](C)(C)C)C2.
What is the InChIKey of methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
The InChIKey is FOMKOQLVSMNRNI-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-16-13(15)14-10-6-5-7-11(14)9-12(8-10)17-18(2,3)4/h8,10-11H,5-7,9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate?
methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate has a molecular weight of 269.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate is sourced from PubChem (CID 10825871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).