7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one

C11H7NO2 — CID 121217424

IUPAC7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
SMILESO=C1OCc2cccc3nccc1c23
InChIInChI=1S/C11H7NO2/c13-11-8-4-5-12-9-3-1-2-7(6-14-11)10(8)9/h1-5H,6H2
InChIKeyCHZUHHGZFBRPHR-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.91
Rot. Bonds

About 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one

7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one (PubChem CID 121217424) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one.

Molecular Properties

Compound Name7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
PubChem CID121217424
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one
SMILESO=C1OCc2cccc3nccc1c23
InChIInChI=1S/C11H7NO2/c13-11-8-4-5-12-9-3-1-2-7(6-14-11)10(8)9/h1-5H,6H2
InChIKeyCHZUHHGZFBRPHR-UHFFFAOYSA-N
XLogP1.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one?
The IUPAC name of 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one (CID 121217424) is 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one.
What is the SMILES notation for 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one?
The canonical SMILES for 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one is O=C1OCc2cccc3nccc1c23.
What is the InChIKey of 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one?
The InChIKey is CHZUHHGZFBRPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-11-8-4-5-12-9-3-1-2-7(6-14-11)10(8)9/h1-5H,6H2.
What are the key properties of 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one?
7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one has a molecular weight of 185.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-6-one is sourced from PubChem (CID 121217424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).