tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate

C16H27NO3 — CID 163207425

IUPACtert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC=CC1CC2(CCN1C(=O)OC(C)(C)C)CC(OC)C2
InChIInChI=1S/C16H27NO3/c1-6-12-9-16(10-13(11-16)19-5)7-8-17(12)14(18)20-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3
InChIKeyZAMFULHJDNCTBQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 163207425) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID163207425
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC=CC1CC2(CCN1C(=O)OC(C)(C)C)CC(OC)C2
InChIInChI=1S/C16H27NO3/c1-6-12-9-16(10-13(11-16)19-5)7-8-17(12)14(18)20-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3
InChIKeyZAMFULHJDNCTBQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,6R)-2-ethoxy-6-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 11300576
6-Ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 169732305
tert-butyl (2R,3S,6R)-2-ethoxy-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 101068990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate (CID 163207425) is tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate is C=CC1CC2(CCN1C(=O)OC(C)(C)C)CC(OC)C2.
What is the InChIKey of tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZAMFULHJDNCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-12-9-16(10-13(11-16)19-5)7-8-17(12)14(18)20-15(2,3)4/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethenyl-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 163207425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).