2-oxa-6-azatricyclo[3.3.1.03,7]nonane

C7H11NO — CID 59235749

IUPAC2-oxa-6-azatricyclo[3.3.1.03,7]nonane
SMILESC1C2CC3OC1CC3N2
InChIInChI=1S/C7H11NO/c1-4-2-7-6(8-4)3-5(1)9-7/h4-8H,1-3H2
InChIKeyVZQQAYVTQDBUFU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.28
Rot. Bonds

About 2-oxa-6-azatricyclo[3.3.1.03,7]nonane

2-oxa-6-azatricyclo[3.3.1.03,7]nonane (PubChem CID 59235749) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-oxa-6-azatricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name2-oxa-6-azatricyclo[3.3.1.03,7]nonane
PubChem CID59235749
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-oxa-6-azatricyclo[3.3.1.03,7]nonane
SMILESC1C2CC3OC1CC3N2
InChIInChI=1S/C7H11NO/c1-4-2-7-6(8-4)3-5(1)9-7/h4-8H,1-3H2
InChIKeyVZQQAYVTQDBUFU-UHFFFAOYSA-N
XLogP0.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azatricyclo[3.3.1.03,7]nonane?
The IUPAC name of 2-oxa-6-azatricyclo[3.3.1.03,7]nonane (CID 59235749) is 2-oxa-6-azatricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 2-oxa-6-azatricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 2-oxa-6-azatricyclo[3.3.1.03,7]nonane is C1C2CC3OC1CC3N2.
What is the InChIKey of 2-oxa-6-azatricyclo[3.3.1.03,7]nonane?
The InChIKey is VZQQAYVTQDBUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-2-7-6(8-4)3-5(1)9-7/h4-8H,1-3H2.
What are the key properties of 2-oxa-6-azatricyclo[3.3.1.03,7]nonane?
2-oxa-6-azatricyclo[3.3.1.03,7]nonane has a molecular weight of 125.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azatricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 59235749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).