(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane

C9H15NO2 — CID 102394335

IUPAC(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane
SMILESC1CO[C@H]2[C@@H](C1)ON1CCC[C@@H]21
InChIInChI=1S/C9H15NO2/c1-3-7-9-8(4-2-6-11-9)12-10(7)5-1/h7-9H,1-6H2/t7-,8+,9+/m0/s1
InChIKeyHAZAJDZXHXTPAI-DJLDLDEBSA-N
MW169.22 g/mol
LogP0.94
Rot. Bonds

About (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane

(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane (PubChem CID 102394335) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane
PubChem CID102394335
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane
SMILESC1CO[C@H]2[C@@H](C1)ON1CCC[C@@H]21
InChIInChI=1S/C9H15NO2/c1-3-7-9-8(4-2-6-11-9)12-10(7)5-1/h7-9H,1-6H2/t7-,8+,9+/m0/s1
InChIKeyHAZAJDZXHXTPAI-DJLDLDEBSA-N
XLogP0.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane (CID 102394335) is (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane is C1CO[C@H]2[C@@H](C1)ON1CCC[C@@H]21.
What is the InChIKey of (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane?
The InChIKey is HAZAJDZXHXTPAI-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-9-8(4-2-6-11-9)12-10(7)5-1/h7-9H,1-6H2/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane?
(1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane has a molecular weight of 169.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8R)-7,12-dioxa-6-azatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 102394335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).