(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride

C12H22ClNO2 — CID 155846490

IUPAC(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC[C@@]2(C1)C[C@H](OCC1CC1)CO2.Cl
InChIInChI=1S/C12H21NO2.ClH/c1-4-12(9-13-5-1)6-11(8-15-12)14-7-10-2-3-10;/h10-11,13H,1-9H2;1H/t11-,12+;/m0./s1
InChIKeyXZVLREILYNPDNG-ZVWHLABXSA-N
MW247.77 g/mol
LogP1.75
Rot. Bonds3

About (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride

(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride (PubChem CID 155846490) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride
PubChem CID155846490
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC Name(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride
SMILESC1CNC[C@@]2(C1)C[C@H](OCC1CC1)CO2.Cl
InChIInChI=1S/C12H21NO2.ClH/c1-4-12(9-13-5-1)6-11(8-15-12)14-7-10-2-3-10;/h10-11,13H,1-9H2;1H/t11-,12+;/m0./s1
InChIKeyXZVLREILYNPDNG-ZVWHLABXSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride (CID 155846490) is (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride is C1CNC[C@@]2(C1)C[C@H](OCC1CC1)CO2.Cl.
What is the InChIKey of (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride?
The InChIKey is XZVLREILYNPDNG-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H21NO2.ClH/c1-4-12(9-13-5-1)6-11(8-15-12)14-7-10-2-3-10;/h10-11,13H,1-9H2;1H/t11-,12+;/m0./s1.
What are the key properties of (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride?
(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 155846490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).