(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal

C8H13NO2 — CID 12887447

IUPAC(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal
SMILESO=C/C(=C\O)N1CCCCC1
InChIInChI=1S/C8H13NO2/c10-6-8(7-11)9-4-2-1-3-5-9/h6-7,10H,1-5H2/b8-6+
InChIKeyBLGPVPVVBUPJNY-SOFGYWHQSA-N
MW155.20 g/mol
LogP1.07
Rot. Bonds2

About (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal

(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal (PubChem CID 12887447) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal.

Molecular Properties

Compound Name(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal
PubChem CID12887447
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal
SMILESO=C/C(=C\O)N1CCCCC1
InChIInChI=1S/C8H13NO2/c10-6-8(7-11)9-4-2-1-3-5-9/h6-7,10H,1-5H2/b8-6+
InChIKeyBLGPVPVVBUPJNY-SOFGYWHQSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal?
The IUPAC name of (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal (CID 12887447) is (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal.
What is the SMILES notation for (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal?
The canonical SMILES for (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal is O=C/C(=C\O)N1CCCCC1.
What is the InChIKey of (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal?
The InChIKey is BLGPVPVVBUPJNY-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-8(7-11)9-4-2-1-3-5-9/h6-7,10H,1-5H2/b8-6+.
What are the key properties of (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal?
(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal has a molecular weight of 155.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-piperidin-1-ylprop-2-enal is sourced from PubChem (CID 12887447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).