tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate

C15H23NO3 — CID 53254231

IUPACtert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate
SMILESC=C[C@H]1CC[C@@]2(C=CCOC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-12-7-9-15(8-6-10-18-11-15)16(12)13(17)19-14(2,3)4/h5-6,8,12H,1,7,9-11H2,2-4H3/t12-,15+/m0/s1
InChIKeyDKIRQZMHDRXSBT-SWLSCSKDSA-N
MW265.35 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate

tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate (PubChem CID 53254231) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate
PubChem CID53254231
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate
SMILESC=C[C@H]1CC[C@@]2(C=CCOC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-12-7-9-15(8-6-10-18-11-15)16(12)13(17)19-14(2,3)4/h5-6,8,12H,1,7,9-11H2,2-4H3/t12-,15+/m0/s1
InChIKeyDKIRQZMHDRXSBT-SWLSCSKDSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate (CID 53254231) is tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate is C=C[C@H]1CC[C@@]2(C=CCOC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The InChIKey is DKIRQZMHDRXSBT-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-12-7-9-15(8-6-10-18-11-15)16(12)13(17)19-14(2,3)4/h5-6,8,12H,1,7,9-11H2,2-4H3/t12-,15+/m0/s1.
What are the key properties of tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate?
tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2-ethenyl-9-oxa-1-azaspiro[4.5]dec-6-ene-1-carboxylate is sourced from PubChem (CID 53254231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).