5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane

C9H15NO — CID 154937495

IUPAC5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane
SMILESCCN1C2CCC23COCC13
InChIInChI=1S/C9H15NO/c1-2-10-7-3-4-9(7)6-11-5-8(9)10/h7-8H,2-6H2,1H3
InChIKeySBLVESPRZXQXNJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.87
Rot. Bonds1

About 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane

5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane (PubChem CID 154937495) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane.

Molecular Properties

Compound Name5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane
PubChem CID154937495
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane
SMILESCCN1C2CCC23COCC13
InChIInChI=1S/C9H15NO/c1-2-10-7-3-4-9(7)6-11-5-8(9)10/h7-8H,2-6H2,1H3
InChIKeySBLVESPRZXQXNJ-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
6-ethyl-6-azatricyclo[5.2.0.01,3]nonane
CID 144519579
7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
CID 130224209
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
1-ethyl-8-oxa-1-azaspiro[5.5]undecane
CID 166896589
(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
(3aR,6aR)-5-ethyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138039508
1-ethyl-5-methylpyrrolidin-2-ol
CID 89131864
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274
ethane;6-ethyl-2-oxa-6-azaspiro[4.5]decane
CID 153356983
(6S,11S)-1,11-diethyl-8-oxa-1-azaspiro[5.5]undecane
CID 122597278

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane?
The IUPAC name of 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane (CID 154937495) is 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane.
What is the SMILES notation for 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane?
The canonical SMILES for 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane is CCN1C2CCC23COCC13.
What is the InChIKey of 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane?
The InChIKey is SBLVESPRZXQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-7-3-4-9(7)6-11-5-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane?
5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane has a molecular weight of 153.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-oxa-5-azatricyclo[4.3.0.01,4]nonane is sourced from PubChem (CID 154937495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).