7-oxa-9-azatricyclo[4.2.1.02,5]nonane

C7H11NO — CID 45092475

IUPAC7-oxa-9-azatricyclo[4.2.1.02,5]nonane
SMILESC1OC2NC1C1CCC21
InChIInChI=1S/C7H11NO/c1-2-5-4(1)6-3-9-7(5)8-6/h4-8H,1-3H2
InChIKeyOUQPIDOELILPKQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.34
Rot. Bonds

About 7-oxa-9-azatricyclo[4.2.1.02,5]nonane

7-oxa-9-azatricyclo[4.2.1.02,5]nonane (PubChem CID 45092475) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-oxa-9-azatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name7-oxa-9-azatricyclo[4.2.1.02,5]nonane
PubChem CID45092475
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-oxa-9-azatricyclo[4.2.1.02,5]nonane
SMILESC1OC2NC1C1CCC21
InChIInChI=1S/C7H11NO/c1-2-5-4(1)6-3-9-7(5)8-6/h4-8H,1-3H2
InChIKeyOUQPIDOELILPKQ-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
CID 130396612
(2R,4S)-2-cyclohexyl-4-propan-2-yl-1,3-oxazolidine
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10-azatricyclo[5.2.1.02,6]decane
CID 130391694
(4S)-3-azatricyclo[3.2.0.02,4]heptane
CID 163720320
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227809
(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
CID 55300004
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227683
33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane
CID 90995297
(1S,2S,5R)-2-methoxy-3-oxa-6-azabicyclo[3.1.0]hexane
CID 55299693

Frequently Asked Questions

What is the IUPAC name of 7-oxa-9-azatricyclo[4.2.1.02,5]nonane?
The IUPAC name of 7-oxa-9-azatricyclo[4.2.1.02,5]nonane (CID 45092475) is 7-oxa-9-azatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for 7-oxa-9-azatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for 7-oxa-9-azatricyclo[4.2.1.02,5]nonane is C1OC2NC1C1CCC21.
What is the InChIKey of 7-oxa-9-azatricyclo[4.2.1.02,5]nonane?
The InChIKey is OUQPIDOELILPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-5-4(1)6-3-9-7(5)8-6/h4-8H,1-3H2.
What are the key properties of 7-oxa-9-azatricyclo[4.2.1.02,5]nonane?
7-oxa-9-azatricyclo[4.2.1.02,5]nonane has a molecular weight of 125.17 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-9-azatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 45092475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).