(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one

C10H11NO2 — CID 45273400

IUPAC(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one
SMILESCCC(=O)/C=C(\O)c1ccccn1
InChIInChI=1S/C10H11NO2/c1-2-8(12)7-10(13)9-5-3-4-6-11-9/h3-7,13H,2H2,1H3/b10-7-
InChIKeyLEBGYKSLKZXFCQ-YFHOEESVSA-N
MW177.20 g/mol
LogP1.96
Rot. Bonds3

About (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one

(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one (PubChem CID 45273400) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one
PubChem CID45273400
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one
SMILESCCC(=O)/C=C(\O)c1ccccn1
InChIInChI=1S/C10H11NO2/c1-2-8(12)7-10(13)9-5-3-4-6-11-9/h3-7,13H,2H2,1H3/b10-7-
InChIKeyLEBGYKSLKZXFCQ-YFHOEESVSA-N
XLogP1.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one (CID 45273400) is (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one is CCC(=O)/C=C(\O)c1ccccn1.
What is the InChIKey of (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one?
The InChIKey is LEBGYKSLKZXFCQ-YFHOEESVSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-8(12)7-10(13)9-5-3-4-6-11-9/h3-7,13H,2H2,1H3/b10-7-.
What are the key properties of (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one?
(Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one has a molecular weight of 177.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-1-pyridin-2-ylpent-1-en-3-one is sourced from PubChem (CID 45273400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).