3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one

C11H15NO4 — CID 141379218

IUPAC3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one
SMILESCC1=CC(OCC2CCCNC2=O)OC1=O
InChIInChI=1S/C11H15NO4/c1-7-5-9(16-11(7)14)15-6-8-3-2-4-12-10(8)13/h5,8-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyDSCSEAMUZOSPLJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.36
Rot. Bonds3

About 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one

3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one (PubChem CID 141379218) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one
PubChem CID141379218
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one
SMILESCC1=CC(OCC2CCCNC2=O)OC1=O
InChIInChI=1S/C11H15NO4/c1-7-5-9(16-11(7)14)15-6-8-3-2-4-12-10(8)13/h5,8-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyDSCSEAMUZOSPLJ-UHFFFAOYSA-N
XLogP0.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one?
The IUPAC name of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one (CID 141379218) is 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one.
What is the SMILES notation for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one?
The canonical SMILES for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one is CC1=CC(OCC2CCCNC2=O)OC1=O.
What is the InChIKey of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one?
The InChIKey is DSCSEAMUZOSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-5-9(16-11(7)14)15-6-8-3-2-4-12-10(8)13/h5,8-9H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one?
3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one has a molecular weight of 225.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one is sourced from PubChem (CID 141379218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).