(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol

C7H13NO3 — CID 57341107

IUPAC(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
SMILESC=C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h2,4-11H,1,3H2/t4-,5-,6+,7+/m1/s1
InChIKeyXUWJGWVDBHLQOD-JWXFUTCRSA-N
MW159.18 g/mol
LogP-1.77
Rot. Bonds1

About (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol

(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol (PubChem CID 57341107) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
PubChem CID57341107
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
SMILESC=C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h2,4-11H,1,3H2/t4-,5-,6+,7+/m1/s1
InChIKeyXUWJGWVDBHLQOD-JWXFUTCRSA-N
XLogP-1.77
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol (CID 57341107) is (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol is C=C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol?
The InChIKey is XUWJGWVDBHLQOD-JWXFUTCRSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h2,4-11H,1,3H2/t4-,5-,6+,7+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol has a molecular weight of 159.18 g/mol, XLogP of -1.77, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol is sourced from PubChem (CID 57341107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).