2-(hydroxymethylidene)piperidine-3,4,5-triol

C6H11NO4 — CID 67907657

IUPAC2-(hydroxymethylidene)piperidine-3,4,5-triol
SMILESOC=C1NCC(O)C(O)C1O
InChIInChI=1S/C6H11NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h2,4-11H,1H2
InChIKeyJBDFRFHHMDRJHY-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.93
Rot. Bonds

About 2-(hydroxymethylidene)piperidine-3,4,5-triol

2-(hydroxymethylidene)piperidine-3,4,5-triol (PubChem CID 67907657) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(hydroxymethylidene)piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethylidene)piperidine-3,4,5-triol
PubChem CID67907657
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(hydroxymethylidene)piperidine-3,4,5-triol
SMILESOC=C1NCC(O)C(O)C1O
InChIInChI=1S/C6H11NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h2,4-11H,1H2
InChIKeyJBDFRFHHMDRJHY-UHFFFAOYSA-N
XLogP-1.93
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethylidene)piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethylidene)piperidine-3,4,5-triol (CID 67907657) is 2-(hydroxymethylidene)piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethylidene)piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethylidene)piperidine-3,4,5-triol is OC=C1NCC(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethylidene)piperidine-3,4,5-triol?
The InChIKey is JBDFRFHHMDRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h2,4-11H,1H2.
What are the key properties of 2-(hydroxymethylidene)piperidine-3,4,5-triol?
2-(hydroxymethylidene)piperidine-3,4,5-triol has a molecular weight of 161.16 g/mol, XLogP of -1.93, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethylidene)piperidine-3,4,5-triol is sourced from PubChem (CID 67907657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).