4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one

C8H10O3 — CID 54687467

IUPAC4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one
SMILESO=C1C=C(O)C2(CCCC2)O1
InChIInChI=1S/C8H10O3/c9-6-5-7(10)11-8(6)3-1-2-4-8/h5,9H,1-4H2
InChIKeySPLDKULBPVFMEK-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.30
Rot. Bonds

About 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one

4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one (PubChem CID 54687467) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one
PubChem CID54687467
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one
SMILESO=C1C=C(O)C2(CCCC2)O1
InChIInChI=1S/C8H10O3/c9-6-5-7(10)11-8(6)3-1-2-4-8/h5,9H,1-4H2
InChIKeySPLDKULBPVFMEK-UHFFFAOYSA-N
XLogP1.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one (CID 54687467) is 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one is O=C1C=C(O)C2(CCCC2)O1.
What is the InChIKey of 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one?
The InChIKey is SPLDKULBPVFMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-5-7(10)11-8(6)3-1-2-4-8/h5,9H,1-4H2.
What are the key properties of 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one?
4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one has a molecular weight of 154.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 54687467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).