(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane

C8H13NO2 — CID 102394338

IUPAC(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane
SMILESC1C[C@H]2[C@H]3CCO[C@H]3ON2C1
InChIInChI=1S/C8H13NO2/c1-2-7-6-3-5-10-8(6)11-9(7)4-1/h6-8H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyMFELUBJTZYFRAP-CSMHCCOUSA-N
MW155.20 g/mol
LogP0.76
Rot. Bonds

About (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane

(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane (PubChem CID 102394338) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane.

Molecular Properties

Compound Name(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane
PubChem CID102394338
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane
SMILESC1C[C@H]2[C@H]3CCO[C@H]3ON2C1
InChIInChI=1S/C8H13NO2/c1-2-7-6-3-5-10-8(6)11-9(7)4-1/h6-8H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyMFELUBJTZYFRAP-CSMHCCOUSA-N
XLogP0.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane
CID 102394335
1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
CID 130679544
(1R,2R,6R)-7-oxa-3λ6-thia-8-azatricyclo[6.3.0.02,6]undecane 3,3-dioxide
CID 101253019
(7S)-2-oxa-3-azatricyclo[5.3.1.03,8]undecane
CID 70500131
(1S,2R,6S)-4,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-3-one
CID 102394327
(1S,2S,6R)-4,7-dioxa-8-azatricyclo[6.3.0.02,6]undecan-3-one
CID 101394099
(2R,6S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecane
CID 139200718
(5R)-2,6-dioxabicyclo[3.1.0]hexane
CID 174637140
(1S,2S,6R)-4-phenyl-7-oxa-4,8-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 102056557
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide
CID 61356533
methyl (2S,3S,3aR)-2-acetyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate
CID 15349318
spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione
CID 176509044

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane?
The IUPAC name of (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane (CID 102394338) is (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane.
What is the SMILES notation for (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane?
The canonical SMILES for (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane is C1C[C@H]2[C@H]3CCO[C@H]3ON2C1.
What is the InChIKey of (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane?
The InChIKey is MFELUBJTZYFRAP-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-6-3-5-10-8(6)11-9(7)4-1/h6-8H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane?
(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane has a molecular weight of 155.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane is sourced from PubChem (CID 102394338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).