5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one

C11H14O2 — CID 25187961

IUPAC5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one
SMILESC=C1C=CC(=O)OC1/C=C/CCC
InChIInChI=1S/C11H14O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h5-8,10H,2-4H2,1H3/b6-5+
InChIKeyRLSBCOBGKGHJEG-AATRIKPKSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one

5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one (PubChem CID 25187961) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one.

Molecular Properties

Compound Name5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one
PubChem CID25187961
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one
SMILESC=C1C=CC(=O)OC1/C=C/CCC
InChIInChI=1S/C11H14O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h5-8,10H,2-4H2,1H3/b6-5+
InChIKeyRLSBCOBGKGHJEG-AATRIKPKSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one?
The IUPAC name of 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one (CID 25187961) is 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one.
What is the SMILES notation for 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one?
The canonical SMILES for 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one is C=C1C=CC(=O)OC1/C=C/CCC.
What is the InChIKey of 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one?
The InChIKey is RLSBCOBGKGHJEG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h5-8,10H,2-4H2,1H3/b6-5+.
What are the key properties of 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one?
5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one is sourced from PubChem (CID 25187961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).