(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one

C10H17NO — CID 89317966

IUPAC(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CC)CCC(=O)NC1
InChIInChI=1S/C10H17NO/c1-3-6-10(4-2)7-5-9(12)11-8-10/h3H,1,4-8H2,2H3,(H,11,12)/t10-/m1/s1
InChIKeyQQLQTKZOWMACBY-SNVBAGLBSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds3

About (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one

(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one (PubChem CID 89317966) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one
PubChem CID89317966
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CC)CCC(=O)NC1
InChIInChI=1S/C10H17NO/c1-3-6-10(4-2)7-5-9(12)11-8-10/h3H,1,4-8H2,2H3,(H,11,12)/t10-/m1/s1
InChIKeyQQLQTKZOWMACBY-SNVBAGLBSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one?
The IUPAC name of (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one (CID 89317966) is (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one is C=CC[C@]1(CC)CCC(=O)NC1.
What is the InChIKey of (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one?
The InChIKey is QQLQTKZOWMACBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-10(4-2)7-5-9(12)11-8-10/h3H,1,4-8H2,2H3,(H,11,12)/t10-/m1/s1.
What are the key properties of (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one?
(5S)-5-ethyl-5-prop-2-enylpiperidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 89317966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).