3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one

C9H10O2 — CID 533436

IUPAC3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one
SMILESO=C1C=CC2CCC1C1OC21
InChIInChI=1S/C9H10O2/c10-7-4-2-5-1-3-6(7)9-8(5)11-9/h2,4-6,8-9H,1,3H2
InChIKeyYAMYUSZFVNTKPG-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.92
Rot. Bonds

About 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one

3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one (PubChem CID 533436) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one.

Molecular Properties

Compound Name3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one
PubChem CID533436
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one
SMILESO=C1C=CC2CCC1C1OC21
InChIInChI=1S/C9H10O2/c10-7-4-2-5-1-3-6(7)9-8(5)11-9/h2,4-6,8-9H,1,3H2
InChIKeyYAMYUSZFVNTKPG-UHFFFAOYSA-N
XLogP0.92
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one?
The IUPAC name of 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one (CID 533436) is 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one.
What is the SMILES notation for 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one?
The canonical SMILES for 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one is O=C1C=CC2CCC1C1OC21.
What is the InChIKey of 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one?
The InChIKey is YAMYUSZFVNTKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-4-2-5-1-3-6(7)9-8(5)11-9/h2,4-6,8-9H,1,3H2.
What are the key properties of 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one?
3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatricyclo[3.3.2.02,4]dec-7-en-6-one is sourced from PubChem (CID 533436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).