4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one

C8H8O3 — CID 54733183

IUPAC4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1cc(O)cc(=O)o1
InChIInChI=1S/C8H8O3/c1-2-3-7-4-6(9)5-8(10)11-7/h2-5,9H,1H3/b3-2+
InChIKeyLAZYRSUGAIOZQO-NSCUHMNNSA-N
MW152.15 g/mol
LogP1.38
Rot. Bonds1

About 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one

4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one (PubChem CID 54733183) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one
PubChem CID54733183
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1cc(O)cc(=O)o1
InChIInChI=1S/C8H8O3/c1-2-3-7-4-6(9)5-8(10)11-7/h2-5,9H,1H3/b3-2+
InChIKeyLAZYRSUGAIOZQO-NSCUHMNNSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one (CID 54733183) is 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one is C/C=C/c1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one?
The InChIKey is LAZYRSUGAIOZQO-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8O3/c1-2-3-7-4-6(9)5-8(10)11-7/h2-5,9H,1H3/b3-2+.
What are the key properties of 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one?
4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one has a molecular weight of 152.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(E)-prop-1-enyl]pyran-2-one is sourced from PubChem (CID 54733183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).