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

C11H13NO2 — CID 45269983

IUPAC(Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
SMILESCCCC(=O)/C=C(\O)c1ccccn1
InChIInChI=1S/C11H13NO2/c1-2-5-9(13)8-11(14)10-6-3-4-7-12-10/h3-4,6-8,14H,2,5H2,1H3/b11-8-
InChIKeyXLYCQDJRGUWRNK-FLIBITNWSA-N
MW191.23 g/mol
LogP2.35
Rot. Bonds4

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

(Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one (PubChem CID 45269983) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
PubChem CID45269983
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
SMILESCCCC(=O)/C=C(\O)c1ccccn1
InChIInChI=1S/C11H13NO2/c1-2-5-9(13)8-11(14)10-6-3-4-7-12-10/h3-4,6-8,14H,2,5H2,1H3/b11-8-
InChIKeyXLYCQDJRGUWRNK-FLIBITNWSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.35
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-ylhex-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one (CID 45269983) is (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one is CCCC(=O)/C=C(\O)c1ccccn1.
What is the InChIKey of (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one?
The InChIKey is XLYCQDJRGUWRNK-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-5-9(13)8-11(14)10-6-3-4-7-12-10/h3-4,6-8,14H,2,5H2,1H3/b11-8-.
What are the key properties of (Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one?
(Z)-1-hydroxy-1-pyridin-2-ylhex-1-en-3-one has a molecular weight of 191.23 g/mol, XLogP of 2.35, 4 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-ylhex-1-en-3-one is sourced from PubChem (CID 45269983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).