11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

C9H7NO — CID 15062474

IUPAC11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESC1=CC2OC1c1cccnc12
InChIInChI=1S/C9H7NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5,7-8H
InChIKeyDNCOFRLRDSGCBS-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.76
Rot. Bonds

About 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (PubChem CID 15062474) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.

Molecular Properties

Compound Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
PubChem CID15062474
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
SMILESC1=CC2OC1c1cccnc12
InChIInChI=1S/C9H7NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5,7-8H
InChIKeyDNCOFRLRDSGCBS-UHFFFAOYSA-N
XLogP1.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene (CID 15062474) is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene.
What is the SMILES notation for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The canonical SMILES for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is C1=CC2OC1c1cccnc12.
What is the InChIKey of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
The InChIKey is DNCOFRLRDSGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-5,7-8H.
What are the key properties of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene?
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene has a molecular weight of 145.16 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene is sourced from PubChem (CID 15062474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).