(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane

C16H24N2O2 — CID 140662943

IUPAC(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane
SMILESCCO[C@H]1C[C@@H](c2ccccn2)CC2(CCNCO2)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-9-13(15-5-3-4-7-18-15)10-16(11-14)6-8-17-12-20-16/h3-5,7,13-14,17H,2,6,8-12H2,1H3/t13-,14+,16?/m1/s1
InChIKeyIUFAOHQEUHUZLY-CNYCQXTOSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds3

About (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane

(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane (PubChem CID 140662943) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane
PubChem CID140662943
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane
SMILESCCO[C@H]1C[C@@H](c2ccccn2)CC2(CCNCO2)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-9-13(15-5-3-4-7-18-15)10-16(11-14)6-8-17-12-20-16/h3-5,7,13-14,17H,2,6,8-12H2,1H3/t13-,14+,16?/m1/s1
InChIKeyIUFAOHQEUHUZLY-CNYCQXTOSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane?
The IUPAC name of (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane (CID 140662943) is (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane.
What is the SMILES notation for (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane?
The canonical SMILES for (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane is CCO[C@H]1C[C@@H](c2ccccn2)CC2(CCNCO2)C1.
What is the InChIKey of (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane?
The InChIKey is IUFAOHQEUHUZLY-CNYCQXTOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-19-14-9-13(15-5-3-4-7-18-15)10-16(11-14)6-8-17-12-20-16/h3-5,7,13-14,17H,2,6,8-12H2,1H3/t13-,14+,16?/m1/s1.
What are the key properties of (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane?
(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane has a molecular weight of 276.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane is sourced from PubChem (CID 140662943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).