(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one

C10H17NO2 — CID 134967715

IUPAC(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one
SMILESO=C(/C=C/CCO)N1CCCCC1
InChIInChI=1S/C10H17NO2/c12-9-5-2-6-10(13)11-7-3-1-4-8-11/h2,6,12H,1,3-5,7-9H2/b6-2+
InChIKeyAMAOGPQPFMEKQN-QHHAFSJGSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds3

About (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one

(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one (PubChem CID 134967715) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one
PubChem CID134967715
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one
SMILESO=C(/C=C/CCO)N1CCCCC1
InChIInChI=1S/C10H17NO2/c12-9-5-2-6-10(13)11-7-3-1-4-8-11/h2,6,12H,1,3-5,7-9H2/b6-2+
InChIKeyAMAOGPQPFMEKQN-QHHAFSJGSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one?
The IUPAC name of (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one (CID 134967715) is (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one.
What is the SMILES notation for (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one?
The canonical SMILES for (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one is O=C(/C=C/CCO)N1CCCCC1.
What is the InChIKey of (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one?
The InChIKey is AMAOGPQPFMEKQN-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-5-2-6-10(13)11-7-3-1-4-8-11/h2,6,12H,1,3-5,7-9H2/b6-2+.
What are the key properties of (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one?
(E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1-piperidin-1-ylpent-2-en-1-one is sourced from PubChem (CID 134967715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).