(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one

C9H15NO2 — CID 118169161

IUPAC(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C(=O)CC[C@H](O)[C@H]1C
InChIInChI=1S/C9H15NO2/c1-3-6-10-7(2)8(11)4-5-9(10)12/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyNGCABNCFPRZCTD-SFYZADRCSA-N
MW169.22 g/mol
LogP0.54
Rot. Bonds2

About (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one

(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one (PubChem CID 118169161) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
PubChem CID118169161
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
SMILESC=CCN1C(=O)CC[C@H](O)[C@H]1C
InChIInChI=1S/C9H15NO2/c1-3-6-10-7(2)8(11)4-5-9(10)12/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyNGCABNCFPRZCTD-SFYZADRCSA-N
XLogP0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one?
The IUPAC name of (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one (CID 118169161) is (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one is C=CCN1C(=O)CC[C@H](O)[C@H]1C.
What is the InChIKey of (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one?
The InChIKey is NGCABNCFPRZCTD-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-6-10-7(2)8(11)4-5-9(10)12/h3,7-8,11H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one?
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 118169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).