3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one

C11H17NO3 — CID 114508850

IUPAC3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
SMILESCCC1CN(C2CCOC2=O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-2-8-7-12(5-3-10(8)13)9-4-6-15-11(9)14/h8-9H,2-7H2,1H3
InChIKeyCUNREITZXRESSF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.60
Rot. Bonds2

About 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one

3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one (PubChem CID 114508850) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
PubChem CID114508850
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
SMILESCCC1CN(C2CCOC2=O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-2-8-7-12(5-3-10(8)13)9-4-6-15-11(9)14/h8-9H,2-7H2,1H3
InChIKeyCUNREITZXRESSF-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one (CID 114508850) is 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one is CCC1CN(C2CCOC2=O)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one?
The InChIKey is CUNREITZXRESSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8-7-12(5-3-10(8)13)9-4-6-15-11(9)14/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one?
3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one is sourced from PubChem (CID 114508850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).