5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one

C10H17NO2 — CID 123724367

IUPAC5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one
SMILESC=CCC1(CC)CCC(=O)N(O)C1
InChIInChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-9(12)11(13)8-10/h3,13H,1,4-8H2,2H3
InChIKeyIIWOOCSEMIIJKL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.97
Rot. Bonds3

About 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one

5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one (PubChem CID 123724367) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one
PubChem CID123724367
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one
SMILESC=CCC1(CC)CCC(=O)N(O)C1
InChIInChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-9(12)11(13)8-10/h3,13H,1,4-8H2,2H3
InChIKeyIIWOOCSEMIIJKL-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one?
The IUPAC name of 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one (CID 123724367) is 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one?
The canonical SMILES for 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one is C=CCC1(CC)CCC(=O)N(O)C1.
What is the InChIKey of 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one?
The InChIKey is IIWOOCSEMIIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-9(12)11(13)8-10/h3,13H,1,4-8H2,2H3.
What are the key properties of 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one?
5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 123724367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).