6-cyclopropyl-2-hydroxy-2H-pyran-5-one

C8H10O3 — CID 163210253

IUPAC6-cyclopropyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1C1CC1
InChIInChI=1S/C8H10O3/c9-6-3-4-7(10)11-8(6)5-1-2-5/h3-5,7-8,10H,1-2H2
InChIKeyLXHRBXLWANSHHV-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.24
Rot. Bonds1

About 6-cyclopropyl-2-hydroxy-2H-pyran-5-one

6-cyclopropyl-2-hydroxy-2H-pyran-5-one (PubChem CID 163210253) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-cyclopropyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name6-cyclopropyl-2-hydroxy-2H-pyran-5-one
PubChem CID163210253
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name6-cyclopropyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1C1CC1
InChIInChI=1S/C8H10O3/c9-6-3-4-7(10)11-8(6)5-1-2-5/h3-5,7-8,10H,1-2H2
InChIKeyLXHRBXLWANSHHV-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of 6-cyclopropyl-2-hydroxy-2H-pyran-5-one (CID 163210253) is 6-cyclopropyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for 6-cyclopropyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for 6-cyclopropyl-2-hydroxy-2H-pyran-5-one is O=C1C=CC(O)OC1C1CC1.
What is the InChIKey of 6-cyclopropyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is LXHRBXLWANSHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-3-4-7(10)11-8(6)5-1-2-5/h3-5,7-8,10H,1-2H2.
What are the key properties of 6-cyclopropyl-2-hydroxy-2H-pyran-5-one?
6-cyclopropyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 154.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 163210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).