5,6-dihydroxypiperidin-2-one

C5H9NO3 — CID 164575807

IUPAC5,6-dihydroxypiperidin-2-one
SMILESO=C1CCC(O)C(O)N1
InChIInChI=1S/C5H9NO3/c7-3-1-2-4(8)6-5(3)9/h3,5,7,9H,1-2H2,(H,6,8)
InChIKeyMXMIIKWDRZMCSN-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.42
Rot. Bonds

About 5,6-dihydroxypiperidin-2-one

5,6-dihydroxypiperidin-2-one (PubChem CID 164575807) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 5,6-dihydroxypiperidin-2-one.

Molecular Properties

Compound Name5,6-dihydroxypiperidin-2-one
PubChem CID164575807
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name5,6-dihydroxypiperidin-2-one
SMILESO=C1CCC(O)C(O)N1
InChIInChI=1S/C5H9NO3/c7-3-1-2-4(8)6-5(3)9/h3,5,7,9H,1-2H2,(H,6,8)
InChIKeyMXMIIKWDRZMCSN-UHFFFAOYSA-N
XLogP-1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxypiperidin-2-one?
The IUPAC name of 5,6-dihydroxypiperidin-2-one (CID 164575807) is 5,6-dihydroxypiperidin-2-one.
What is the SMILES notation for 5,6-dihydroxypiperidin-2-one?
The canonical SMILES for 5,6-dihydroxypiperidin-2-one is O=C1CCC(O)C(O)N1.
What is the InChIKey of 5,6-dihydroxypiperidin-2-one?
The InChIKey is MXMIIKWDRZMCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-2-4(8)6-5(3)9/h3,5,7,9H,1-2H2,(H,6,8).
What are the key properties of 5,6-dihydroxypiperidin-2-one?
5,6-dihydroxypiperidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxypiperidin-2-one is sourced from PubChem (CID 164575807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).