2-cyclopropyl-3-hydroxypyran-4-one

C8H8O3 — CID 84649593

IUPAC2-cyclopropyl-3-hydroxypyran-4-one
SMILESO=c1ccoc(C2CC2)c1O
InChIInChI=1S/C8H8O3/c9-6-3-4-11-8(7(6)10)5-1-2-5/h3-5,10H,1-2H2
InChIKeyUEJXHTRRQUTVAV-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.22
Rot. Bonds1

About 2-cyclopropyl-3-hydroxypyran-4-one

2-cyclopropyl-3-hydroxypyran-4-one (PubChem CID 84649593) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-cyclopropyl-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-hydroxypyran-4-one
PubChem CID84649593
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-cyclopropyl-3-hydroxypyran-4-one
SMILESO=c1ccoc(C2CC2)c1O
InChIInChI=1S/C8H8O3/c9-6-3-4-11-8(7(6)10)5-1-2-5/h3-5,10H,1-2H2
InChIKeyUEJXHTRRQUTVAV-UHFFFAOYSA-N
XLogP1.22
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-hydroxypyran-4-one?
The IUPAC name of 2-cyclopropyl-3-hydroxypyran-4-one (CID 84649593) is 2-cyclopropyl-3-hydroxypyran-4-one.
What is the SMILES notation for 2-cyclopropyl-3-hydroxypyran-4-one?
The canonical SMILES for 2-cyclopropyl-3-hydroxypyran-4-one is O=c1ccoc(C2CC2)c1O.
What is the InChIKey of 2-cyclopropyl-3-hydroxypyran-4-one?
The InChIKey is UEJXHTRRQUTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-6-3-4-11-8(7(6)10)5-1-2-5/h3-5,10H,1-2H2.
What are the key properties of 2-cyclopropyl-3-hydroxypyran-4-one?
2-cyclopropyl-3-hydroxypyran-4-one has a molecular weight of 152.15 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-hydroxypyran-4-one is sourced from PubChem (CID 84649593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).