4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one

C13H17NO2 — CID 165467502

IUPAC4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccco2)C2(CCCCC2)N1
InChIInChI=1S/C13H17NO2/c15-12-9-10(11-5-4-8-16-11)13(14-12)6-2-1-3-7-13/h4-5,8,10H,1-3,6-7,9H2,(H,14,15)
InChIKeyKCDWNYGCLQIBPI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.59
Rot. Bonds1

About 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one

4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one (PubChem CID 165467502) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one
PubChem CID165467502
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccco2)C2(CCCCC2)N1
InChIInChI=1S/C13H17NO2/c15-12-9-10(11-5-4-8-16-11)13(14-12)6-2-1-3-7-13/h4-5,8,10H,1-3,6-7,9H2,(H,14,15)
InChIKeyKCDWNYGCLQIBPI-UHFFFAOYSA-N
XLogP2.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one (CID 165467502) is 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one is O=C1CC(c2ccco2)C2(CCCCC2)N1.
What is the InChIKey of 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one?
The InChIKey is KCDWNYGCLQIBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-9-10(11-5-4-8-16-11)13(14-12)6-2-1-3-7-13/h4-5,8,10H,1-3,6-7,9H2,(H,14,15).
What are the key properties of 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one?
4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 165467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).