11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene

C9H9NO — CID 129254012

IUPAC11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene
SMILESC1=CC2=C3C=CC(O3)C2NC1
InChIInChI=1S/C9H9NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-4,8-10H,5H2
InChIKeyLNZFWGAWJXNJHR-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.74
Rot. Bonds

About 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene

11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene (PubChem CID 129254012) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene.

Molecular Properties

Compound Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene
PubChem CID129254012
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene
SMILESC1=CC2=C3C=CC(O3)C2NC1
InChIInChI=1S/C9H9NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-4,8-10H,5H2
InChIKeyLNZFWGAWJXNJHR-UHFFFAOYSA-N
XLogP0.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene?
The IUPAC name of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene (CID 129254012) is 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene.
What is the SMILES notation for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene?
The canonical SMILES for 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene is C1=CC2=C3C=CC(O3)C2NC1.
What is the InChIKey of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene?
The InChIKey is LNZFWGAWJXNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-6-7-3-4-8(11-7)9(6)10-5-1/h1-4,8-10H,5H2.
What are the key properties of 11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene?
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-5,7,9-triene has a molecular weight of 147.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 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-5,7,9-triene is sourced from PubChem (CID 129254012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).