6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one

C10H10O4 — CID 162989950

IUPAC6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one
SMILESCC(O)C(=O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H10O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,11H,1H3
InChIKeyIBNFFIKIHHCABM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.60
Rot. Bonds3

About 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one

6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one (PubChem CID 162989950) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one.

Molecular Properties

Compound Name6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one
PubChem CID162989950
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one
SMILESCC(O)C(=O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H10O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,11H,1H3
InChIKeyIBNFFIKIHHCABM-UHFFFAOYSA-N
XLogP0.60
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one?
The IUPAC name of 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one (CID 162989950) is 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one.
What is the SMILES notation for 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one?
The canonical SMILES for 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one is CC(O)C(=O)C=Cc1cccc(=O)o1.
What is the InChIKey of 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one?
The InChIKey is IBNFFIKIHHCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)9(12)6-5-8-3-2-4-10(13)14-8/h2-7,11H,1H3.
What are the key properties of 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one?
6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3-oxopent-1-enyl)pyran-2-one is sourced from PubChem (CID 162989950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).