4-oxopyran-3-olate

C5H3O3- — CID 20698733

IUPAC4-oxopyran-3-olate
SMILESO=c1ccocc1[O-]
InChIInChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H/p-1
InChIKeyVEYIMQVTPXPUHA-UHFFFAOYSA-M
MW111.08 g/mol
LogP-0.29
Rot. Bonds

About 4-oxopyran-3-olate

4-oxopyran-3-olate (PubChem CID 20698733) has the molecular formula C5H3O3- and a molecular weight of 111.08 g/mol. Its IUPAC name is 4-oxopyran-3-olate.

Molecular Properties

Compound Name4-oxopyran-3-olate
PubChem CID20698733
Molecular FormulaC5H3O3-
Molecular Weight111.08 g/mol
Exact Mass111.01
IUPAC Name4-oxopyran-3-olate
SMILESO=c1ccocc1[O-]
InChIInChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H/p-1
InChIKeyVEYIMQVTPXPUHA-UHFFFAOYSA-M
XLogP-0.29
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxopyran-3-olate?
The IUPAC name of 4-oxopyran-3-olate (CID 20698733) is 4-oxopyran-3-olate.
What is the SMILES notation for 4-oxopyran-3-olate?
The canonical SMILES for 4-oxopyran-3-olate is O=c1ccocc1[O-].
What is the InChIKey of 4-oxopyran-3-olate?
The InChIKey is VEYIMQVTPXPUHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H/p-1.
What are the key properties of 4-oxopyran-3-olate?
4-oxopyran-3-olate has a molecular weight of 111.08 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyran-3-olate is sourced from PubChem (CID 20698733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).