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

C10H10O3 — CID 156582515

IUPAC6-(3-oxopent-1-enyl)pyran-2-one
SMILESCCC(=O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H10O3/c1-2-8(11)6-7-9-4-3-5-10(12)13-9/h3-7H,2H2,1H3
InChIKeyJILYMAUOSUIIHR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.63
Rot. Bonds3

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

6-(3-oxopent-1-enyl)pyran-2-one (PubChem CID 156582515) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-(3-oxopent-1-enyl)pyran-2-one.

Molecular Properties

Compound Name6-(3-oxopent-1-enyl)pyran-2-one
PubChem CID156582515
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name6-(3-oxopent-1-enyl)pyran-2-one
SMILESCCC(=O)C=Cc1cccc(=O)o1
InChIInChI=1S/C10H10O3/c1-2-8(11)6-7-9-4-3-5-10(12)13-9/h3-7H,2H2,1H3
InChIKeyJILYMAUOSUIIHR-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-oxopent-1-enyl)pyran-2-one?
The IUPAC name of 6-(3-oxopent-1-enyl)pyran-2-one (CID 156582515) is 6-(3-oxopent-1-enyl)pyran-2-one.
What is the SMILES notation for 6-(3-oxopent-1-enyl)pyran-2-one?
The canonical SMILES for 6-(3-oxopent-1-enyl)pyran-2-one is CCC(=O)C=Cc1cccc(=O)o1.
What is the InChIKey of 6-(3-oxopent-1-enyl)pyran-2-one?
The InChIKey is JILYMAUOSUIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-2-8(11)6-7-9-4-3-5-10(12)13-9/h3-7H,2H2,1H3.
What are the key properties of 6-(3-oxopent-1-enyl)pyran-2-one?
6-(3-oxopent-1-enyl)pyran-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxopent-1-enyl)pyran-2-one is sourced from PubChem (CID 156582515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).