1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one

C11H13NO3 — CID 62023366

IUPAC1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1ccco1
InChIInChI=1S/C11H13NO3/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h3-4,7H,1-2,5-6,8H2
InChIKeyIWYJHWSXBCBFEF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one

1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 62023366) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one
PubChem CID62023366
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1ccco1
InChIInChI=1S/C11H13NO3/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h3-4,7H,1-2,5-6,8H2
InChIKeyIWYJHWSXBCBFEF-UHFFFAOYSA-N
XLogP1.47
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one (CID 62023366) is 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one is O=C(CN1CCCCC1=O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is IWYJHWSXBCBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9(10-4-3-7-15-10)8-12-6-2-1-5-11(12)14/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 62023366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).