8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one

C14H20N2O2 — CID 97494180

IUPAC8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3ccoc3)CC2)N1
InChIInChI=1S/C14H20N2O2/c17-13-3-7-14(16-13)5-1-12(2-6-14)15-9-11-4-8-18-10-11/h4,8,10,12,15H,1-3,5-7,9H2,(H,16,17)
InChIKeyPYXJVHPRNAJGLD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one

8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 97494180) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID97494180
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3ccoc3)CC2)N1
InChIInChI=1S/C14H20N2O2/c17-13-3-7-14(16-13)5-1-12(2-6-14)15-9-11-4-8-18-10-11/h4,8,10,12,15H,1-3,5-7,9H2,(H,16,17)
InChIKeyPYXJVHPRNAJGLD-UHFFFAOYSA-N
XLogP1.96
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one (CID 97494180) is 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(NCc3ccoc3)CC2)N1.
What is the InChIKey of 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is PYXJVHPRNAJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-3-7-14(16-13)5-1-12(2-6-14)15-9-11-4-8-18-10-11/h4,8,10,12,15H,1-3,5-7,9H2,(H,16,17).
What are the key properties of 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97494180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).