(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane

C8H12NO2- — CID 163489177

IUPAC(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane
SMILES[O-]N1OCC2C3CC[C@H](C3)C21
InChIInChI=1S/C8H12NO2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/q-1/t5?,6-,7?,8?/m1/s1
InChIKeyLBLBUYLKHBIDJF-QQJWGCFSSA-N
MW154.19 g/mol
LogP1.15
Rot. Bonds

About (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane

(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane (PubChem CID 163489177) has the molecular formula C8H12NO2- and a molecular weight of 154.19 g/mol. Its IUPAC name is (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane
PubChem CID163489177
Molecular FormulaC8H12NO2-
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane
SMILES[O-]N1OCC2C3CC[C@H](C3)C21
InChIInChI=1S/C8H12NO2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/q-1/t5?,6-,7?,8?/m1/s1
InChIKeyLBLBUYLKHBIDJF-QQJWGCFSSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
3-cyclobutyl-3-azatricyclo[4.2.1.02,5]nonane
CID 130736615
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
tricyclo[3.3.0.02,7]octane
CID 13112141
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
tricyclo[4.4.0.02,8]decane
CID 585864
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684

Frequently Asked Questions

What is the IUPAC name of (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane (CID 163489177) is (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane is [O-]N1OCC2C3CC[C@H](C3)C21.
What is the InChIKey of (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane?
The InChIKey is LBLBUYLKHBIDJF-QQJWGCFSSA-N. The full InChI is InChI=1S/C8H12NO2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/q-1/t5?,6-,7?,8?/m1/s1.
What are the key properties of (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane?
(1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane has a molecular weight of 154.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-oxido-4-oxa-3-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 163489177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).