2-(furan-2-yl)-5-azaspiro[2.3]hexane

C9H11NO — CID 45282376

IUPAC2-(furan-2-yl)-5-azaspiro[2.3]hexane
SMILESc1coc(C2CC23CNC3)c1
InChIInChI=1S/C9H11NO/c1-2-8(11-3-1)7-4-9(7)5-10-6-9/h1-3,7,10H,4-6H2
InChIKeyPTOBYTIUTHZDMG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.36
Rot. Bonds1

About 2-(furan-2-yl)-5-azaspiro[2.3]hexane

2-(furan-2-yl)-5-azaspiro[2.3]hexane (PubChem CID 45282376) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name2-(furan-2-yl)-5-azaspiro[2.3]hexane
PubChem CID45282376
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(furan-2-yl)-5-azaspiro[2.3]hexane
SMILESc1coc(C2CC23CNC3)c1
InChIInChI=1S/C9H11NO/c1-2-8(11-3-1)7-4-9(7)5-10-6-9/h1-3,7,10H,4-6H2
InChIKeyPTOBYTIUTHZDMG-UHFFFAOYSA-N
XLogP1.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-azaspiro[2.3]hexane?
The IUPAC name of 2-(furan-2-yl)-5-azaspiro[2.3]hexane (CID 45282376) is 2-(furan-2-yl)-5-azaspiro[2.3]hexane.
What is the SMILES notation for 2-(furan-2-yl)-5-azaspiro[2.3]hexane?
The canonical SMILES for 2-(furan-2-yl)-5-azaspiro[2.3]hexane is c1coc(C2CC23CNC3)c1.
What is the InChIKey of 2-(furan-2-yl)-5-azaspiro[2.3]hexane?
The InChIKey is PTOBYTIUTHZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8(11-3-1)7-4-9(7)5-10-6-9/h1-3,7,10H,4-6H2.
What are the key properties of 2-(furan-2-yl)-5-azaspiro[2.3]hexane?
2-(furan-2-yl)-5-azaspiro[2.3]hexane has a molecular weight of 149.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-azaspiro[2.3]hexane is sourced from PubChem (CID 45282376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).