(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one

C10H17NO2 — CID 89318251

IUPAC(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CC)CCCN(O)C1=O
InChIInChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-8-11(13)9(10)12/h3,13H,1,4-8H2,2H3/t10-/m1/s1
InChIKeySMICRJNMUALGCW-SNVBAGLBSA-N
MW183.25 g/mol
LogP1.97
Rot. Bonds3

About (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one

(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one (PubChem CID 89318251) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
PubChem CID89318251
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(CC)CCCN(O)C1=O
InChIInChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-8-11(13)9(10)12/h3,13H,1,4-8H2,2H3/t10-/m1/s1
InChIKeySMICRJNMUALGCW-SNVBAGLBSA-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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Related Compounds

[(5R)-5-ethyl-1-hydroxy-6-oxo-5-prop-2-enylpiperidin-3-yl]methyl 3-[(3R)-1-hydroxy-2-oxo-3-prop-2-enylpiperidin-3-yl]propanoate
CID 138751743
(3S)-3-ethyl-1-[(E)-4-[(3S)-3-ethyl-2-oxopiperidin-3-yl]but-2-enyl]-3-prop-2-enylpiperidin-2-one
CID 146608070
5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one
CID 123724367
methyl 3-[(3R)-1-methyl-2-oxo-3-prop-2-enylpiperidin-3-yl]propanoate
CID 155131372
methyl 3-[(3R)-1-bromo-2-oxo-3-prop-2-enylpiperidin-3-yl]propanoate
CID 129141788
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
3-benzyl-3-ethyl-1-methylpiperidin-2-one
CID 23448180
1-[(1R)-1-phenylethyl]-3-(prop-2-enoxymethyl)-3-prop-2-enylpiperidin-2-one
CID 146616344
tert-butyl (8aS)-1,4-dioxo-8a-prop-2-enyl-3,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 170260862
(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
1,2-diethyl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259415

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one (CID 89318251) is (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one is C=CC[C@]1(CC)CCCN(O)C1=O.
What is the InChIKey of (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one?
The InChIKey is SMICRJNMUALGCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-10(4-2)7-5-8-11(13)9(10)12/h3,13H,1,4-8H2,2H3/t10-/m1/s1.
What are the key properties of (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one?
(3S)-3-ethyl-1-hydroxy-3-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 (3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 89318251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).