8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C7H9NO2 — CID 175955149

IUPAC8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESO=C1C2CC2C2COCN12
InChIInChI=1S/C7H9NO2/c9-7-5-1-4(5)6-2-10-3-8(6)7/h4-6H,1-3H2
InChIKeyVEVPQAJAQGGBSK-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.18
Rot. Bonds

About 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 175955149) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID175955149
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESO=C1C2CC2C2COCN12
InChIInChI=1S/C7H9NO2/c9-7-5-1-4(5)6-2-10-3-8(6)7/h4-6H,1-3H2
InChIKeyVEVPQAJAQGGBSK-UHFFFAOYSA-N
XLogP-0.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 175955149) is 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is O=C1C2CC2C2COCN12.
What is the InChIKey of 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is VEVPQAJAQGGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-5-1-4(5)6-2-10-3-8(6)7/h4-6H,1-3H2.
What are the key properties of 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 139.15 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 175955149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).