3,5-bis(prop-1-enyl)pyrylium-2,6-diide

C11H11O- — CID 158559278

IUPAC3,5-bis(prop-1-enyl)pyrylium-2,6-diide
SMILESCC=Cc1[c-][o+][c-]c(C=CC)c1
InChIInChI=1S/C11H11O/c1-3-5-10-7-11(6-4-2)9-12-8-10/h3-7H,1-2H3/q-1
InChIKeyQHMDBFRUWBIKOP-UHFFFAOYSA-N
MW159.21 g/mol
LogP3.23
Rot. Bonds2

About 3,5-bis(prop-1-enyl)pyrylium-2,6-diide

3,5-bis(prop-1-enyl)pyrylium-2,6-diide (PubChem CID 158559278) has the molecular formula C11H11O- and a molecular weight of 159.21 g/mol. Its IUPAC name is 3,5-bis(prop-1-enyl)pyrylium-2,6-diide.

Molecular Properties

Compound Name3,5-bis(prop-1-enyl)pyrylium-2,6-diide
PubChem CID158559278
Molecular FormulaC11H11O-
Molecular Weight159.21 g/mol
Exact Mass159.08
IUPAC Name3,5-bis(prop-1-enyl)pyrylium-2,6-diide
SMILESCC=Cc1[c-][o+][c-]c(C=CC)c1
InChIInChI=1S/C11H11O/c1-3-5-10-7-11(6-4-2)9-12-8-10/h3-7H,1-2H3/q-1
InChIKeyQHMDBFRUWBIKOP-UHFFFAOYSA-N
XLogP3.23
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(prop-1-enyl)pyrylium-2,6-diide?
The IUPAC name of 3,5-bis(prop-1-enyl)pyrylium-2,6-diide (CID 158559278) is 3,5-bis(prop-1-enyl)pyrylium-2,6-diide.
What is the SMILES notation for 3,5-bis(prop-1-enyl)pyrylium-2,6-diide?
The canonical SMILES for 3,5-bis(prop-1-enyl)pyrylium-2,6-diide is CC=Cc1[c-][o+][c-]c(C=CC)c1.
What is the InChIKey of 3,5-bis(prop-1-enyl)pyrylium-2,6-diide?
The InChIKey is QHMDBFRUWBIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O/c1-3-5-10-7-11(6-4-2)9-12-8-10/h3-7H,1-2H3/q-1.
What are the key properties of 3,5-bis(prop-1-enyl)pyrylium-2,6-diide?
3,5-bis(prop-1-enyl)pyrylium-2,6-diide has a molecular weight of 159.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(prop-1-enyl)pyrylium-2,6-diide is sourced from PubChem (CID 158559278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).