2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one

C8H8O3 — CID 89138857

IUPAC2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one
SMILESO=C1OC2=C(O)C3CC1C2C3
InChIInChI=1S/C8H8O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-5,9H,1-2H2
InChIKeyQABMBKUJKTYPMN-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.97
Rot. Bonds

About 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one

2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one (PubChem CID 89138857) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one.

Molecular Properties

Compound Name2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one
PubChem CID89138857
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one
SMILESO=C1OC2=C(O)C3CC1C2C3
InChIInChI=1S/C8H8O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-5,9H,1-2H2
InChIKeyQABMBKUJKTYPMN-UHFFFAOYSA-N
XLogP0.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one?
The IUPAC name of 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one (CID 89138857) is 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one.
What is the SMILES notation for 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one?
The canonical SMILES for 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one is O=C1OC2=C(O)C3CC1C2C3.
What is the InChIKey of 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one?
The InChIKey is QABMBKUJKTYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-5,9H,1-2H2.
What are the key properties of 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one?
2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one has a molecular weight of 152.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxatricyclo[4.2.1.03,7]non-2-en-5-one is sourced from PubChem (CID 89138857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).