tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate

C11H17NO3 — CID 84678519

IUPACtert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC2C=O)C1
InChIInChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h5,8H,4,6-7H2,1-3H3
InChIKeyUBIDCHDZFOWQKL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.44
Rot. Bonds1

About tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate

tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate (PubChem CID 84678519) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate
PubChem CID84678519
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC2C=O)C1
InChIInChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h5,8H,4,6-7H2,1-3H3
InChIKeyUBIDCHDZFOWQKL-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate?
The IUPAC name of tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate (CID 84678519) is tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate?
The canonical SMILES for tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate is CC(C)(C)OC(=O)N1CC2(CC2C=O)C1.
What is the InChIKey of tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate?
The InChIKey is UBIDCHDZFOWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(11)5-13/h5,8H,4,6-7H2,1-3H3.
What are the key properties of tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate?
tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyl-5-azaspiro[2.3]hexane-5-carboxylate is sourced from PubChem (CID 84678519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).