4-ethylidenepyran

C7H8O — CID 22965781

IUPAC4-ethylidenepyran
SMILESCC=C1C=COC=C1
InChIInChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h2-6H,1H3
InChIKeyQXMSFHGONDZBCR-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.99
Rot. Bonds

About 4-ethylidenepyran

4-ethylidenepyran (PubChem CID 22965781) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-ethylidenepyran.

Molecular Properties

Compound Name4-ethylidenepyran
PubChem CID22965781
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name4-ethylidenepyran
SMILESCC=C1C=COC=C1
InChIInChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h2-6H,1H3
InChIKeyQXMSFHGONDZBCR-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidenepyran?
The IUPAC name of 4-ethylidenepyran (CID 22965781) is 4-ethylidenepyran.
What is the SMILES notation for 4-ethylidenepyran?
The canonical SMILES for 4-ethylidenepyran is CC=C1C=COC=C1.
What is the InChIKey of 4-ethylidenepyran?
The InChIKey is QXMSFHGONDZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-7-3-5-8-6-4-7/h2-6H,1H3.
What are the key properties of 4-ethylidenepyran?
4-ethylidenepyran has a molecular weight of 108.14 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenepyran is sourced from PubChem (CID 22965781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).