8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C13H18N2O3 — CID 118225267

IUPAC8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESNC1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O
InChIInChI=1S/C13H18N2O3/c14-9-1-3-13(4-2-9)5-6-15(12(13)17)10-7-11(16)18-8-10/h7,9H,1-6,8,14H2
InChIKeyJEVSYVFKWNRYSC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.55
Rot. Bonds1

About 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 118225267) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID118225267
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESNC1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O
InChIInChI=1S/C13H18N2O3/c14-9-1-3-13(4-2-9)5-6-15(12(13)17)10-7-11(16)18-8-10/h7,9H,1-6,8,14H2
InChIKeyJEVSYVFKWNRYSC-UHFFFAOYSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 118225267) is 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is NC1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O.
What is the InChIKey of 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is JEVSYVFKWNRYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-1-3-13(4-2-9)5-6-15(12(13)17)10-7-11(16)18-8-10/h7,9H,1-6,8,14H2.
What are the key properties of 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118225267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).