5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

C11H12O2 — CID 25187964

IUPAC5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC=C1C=CC(=O)OC1/C=C/C=C/C
InChIInChI=1S/C11H12O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h3-8,10H,2H2,1H3/b4-3+,6-5+
InChIKeyKBPTWVPQNGGLGO-VNKDHWASSA-N
MW176.21 g/mol
LogP2.16
Rot. Bonds2

About 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (PubChem CID 25187964) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.

Molecular Properties

Compound Name5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
PubChem CID25187964
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC=C1C=CC(=O)OC1/C=C/C=C/C
InChIInChI=1S/C11H12O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h3-8,10H,2H2,1H3/b4-3+,6-5+
InChIKeyKBPTWVPQNGGLGO-VNKDHWASSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 441575
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Kava
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(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
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CID 137650531
3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
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3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
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CID 11300882
1,5,7-Octatrien-3-ol, 2,6-dimethyl-, 3-acetate, (5E)-
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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The IUPAC name of 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (CID 25187964) is 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.
What is the SMILES notation for 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The canonical SMILES for 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is C=C1C=CC(=O)OC1/C=C/C=C/C.
What is the InChIKey of 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The InChIKey is KBPTWVPQNGGLGO-VNKDHWASSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-4-5-6-10-9(2)7-8-11(12)13-10/h3-8,10H,2H2,1H3/b4-3+,6-5+.
What are the key properties of 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one has a molecular weight of 176.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is sourced from PubChem (CID 25187964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).