(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane

C10H17NO2 — CID 11052296

IUPAC(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane
SMILESC[C@@H]1O[C@@H]2CCC[C@@H]3ON(C)[C@H]1[C@@H]32
InChIInChI=1S/C10H17NO2/c1-6-10-9-7(12-6)4-3-5-8(9)13-11(10)2/h6-10H,3-5H2,1-2H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyCJSHWCJPRVDIET-SQXHDICFSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds

About (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane

(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane (PubChem CID 11052296) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Name(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane
PubChem CID11052296
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane
SMILESC[C@@H]1O[C@@H]2CCC[C@@H]3ON(C)[C@H]1[C@@H]32
InChIInChI=1S/C10H17NO2/c1-6-10-9-7(12-6)4-3-5-8(9)13-11(10)2/h6-10H,3-5H2,1-2H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyCJSHWCJPRVDIET-SQXHDICFSA-N
XLogP1.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane with MolForge

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Related Compounds

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CID 129413335
(2S,3S,3aS,4R,7aR)-2,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-carboxylic acid
CID 129413241
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
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(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
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CID 71338835
10,12-dimethyl-7,11-dioxa-2-azatricyclo[6.4.0.02,6]dodecane
CID 20612041
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(3R,3aS,6aR)-3-diethoxyphosphoryl-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2]oxazole
CID 101429409
(5S,6R)-6-methyl-8-oxabicyclo[3.2.1]octane
CID 145014882
(3R,3aR,4R,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 129413344

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane?
The IUPAC name of (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane (CID 11052296) is (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane is C[C@@H]1O[C@@H]2CCC[C@@H]3ON(C)[C@H]1[C@@H]32.
What is the InChIKey of (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane?
The InChIKey is CJSHWCJPRVDIET-SQXHDICFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-10-9-7(12-6)4-3-5-8(9)13-11(10)2/h6-10H,3-5H2,1-2H3/t6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane?
(1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane has a molecular weight of 183.25 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S,7R,11R)-3,5-dimethyl-2,6-dioxa-3-azatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 11052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).