1,5-dihydroxy-5-methylpiperidin-2-one

C6H11NO3 — CID 13423496

IUPAC1,5-dihydroxy-5-methylpiperidin-2-one
SMILESCC1(O)CCC(=O)N(O)C1
InChIInChI=1S/C6H11NO3/c1-6(9)3-2-5(8)7(10)4-6/h9-10H,2-4H2,1H3
InChIKeyCHRGQQPWMVFHOL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.25
Rot. Bonds

About 1,5-dihydroxy-5-methylpiperidin-2-one

1,5-dihydroxy-5-methylpiperidin-2-one (PubChem CID 13423496) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1,5-dihydroxy-5-methylpiperidin-2-one.

Molecular Properties

Compound Name1,5-dihydroxy-5-methylpiperidin-2-one
PubChem CID13423496
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1,5-dihydroxy-5-methylpiperidin-2-one
SMILESCC1(O)CCC(=O)N(O)C1
InChIInChI=1S/C6H11NO3/c1-6(9)3-2-5(8)7(10)4-6/h9-10H,2-4H2,1H3
InChIKeyCHRGQQPWMVFHOL-UHFFFAOYSA-N
XLogP-0.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-5-methylpiperidin-2-one?
The IUPAC name of 1,5-dihydroxy-5-methylpiperidin-2-one (CID 13423496) is 1,5-dihydroxy-5-methylpiperidin-2-one.
What is the SMILES notation for 1,5-dihydroxy-5-methylpiperidin-2-one?
The canonical SMILES for 1,5-dihydroxy-5-methylpiperidin-2-one is CC1(O)CCC(=O)N(O)C1.
What is the InChIKey of 1,5-dihydroxy-5-methylpiperidin-2-one?
The InChIKey is CHRGQQPWMVFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(9)3-2-5(8)7(10)4-6/h9-10H,2-4H2,1H3.
What are the key properties of 1,5-dihydroxy-5-methylpiperidin-2-one?
1,5-dihydroxy-5-methylpiperidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-5-methylpiperidin-2-one is sourced from PubChem (CID 13423496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).