benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

C16H19NO3 — CID 130751442

IUPACbenzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C2(CCC2)C1
InChIInChI=1S/C16H19NO3/c18-14-7-10-17(16(11-14)8-4-9-16)15(19)20-12-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKeyJXWIBELPDMPXBO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.91
Rot. Bonds2

About benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate

benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate (PubChem CID 130751442) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate.

Molecular Properties

Compound Namebenzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
PubChem CID130751442
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namebenzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C2(CCC2)C1
InChIInChI=1S/C16H19NO3/c18-14-7-10-17(16(11-14)8-4-9-16)15(19)20-12-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKeyJXWIBELPDMPXBO-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The IUPAC name of benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate (CID 130751442) is benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate.
What is the SMILES notation for benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The canonical SMILES for benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate is O=C1CCN(C(=O)OCc2ccccc2)C2(CCC2)C1.
What is the InChIKey of benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
The InChIKey is JXWIBELPDMPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14-7-10-17(16(11-14)8-4-9-16)15(19)20-12-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2.
What are the key properties of benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate?
benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-oxo-5-azaspiro[3.5]nonane-5-carboxylate is sourced from PubChem (CID 130751442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).