(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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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).