(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

C7H13NO2 — CID 177187358

IUPAC(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESCCN1C[C@@H]2CO[C@H](C1)O2
InChIInChI=1S/C7H13NO2/c1-2-8-3-6-5-9-7(4-8)10-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyYONCTFJVCOCYSA-RQJHMYQMSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds1

About (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (PubChem CID 177187358) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
PubChem CID177187358
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESCCN1C[C@@H]2CO[C@H](C1)O2
InChIInChI=1S/C7H13NO2/c1-2-8-3-6-5-9-7(4-8)10-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyYONCTFJVCOCYSA-RQJHMYQMSA-N
XLogP0.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
3-ethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 13320194
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane
CID 130626414
(3-ethyl-1,3-oxazolidin-5-yl)methanol
CID 139776451
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
(E)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hept-2-en-4-one
CID 171828475
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
1-(4-ethyl-1,4-diazepan-1-yl)ethanone;3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 166542954

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (CID 177187358) is (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is CCN1C[C@@H]2CO[C@H](C1)O2.
What is the InChIKey of (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The InChIKey is YONCTFJVCOCYSA-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-8-3-6-5-9-7(4-8)10-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane has a molecular weight of 143.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 177187358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).