(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride

C14H23ClN2O2 — CID 171327468

IUPAC(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
SMILESCl.O=C1OC2(CCN1C1CCC1)C[C@H]1CC[C@@H](C2)N1
InChIInChI=1S/C14H22N2O2.ClH/c17-13-16(12-2-1-3-12)7-6-14(18-13)8-10-4-5-11(9-14)15-10;/h10-12,15H,1-9H2;1H/t10-,11+,14?;
InChIKeySKUDHPOEGXHALI-LSHWYJCTSA-N
MW286.80 g/mol
LogP2.46
Rot. Bonds1

About (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride

(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride (PubChem CID 171327468) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride.

Molecular Properties

Compound Name(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
PubChem CID171327468
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
SMILESCl.O=C1OC2(CCN1C1CCC1)C[C@H]1CC[C@@H](C2)N1
InChIInChI=1S/C14H22N2O2.ClH/c17-13-16(12-2-1-3-12)7-6-14(18-13)8-10-4-5-11(9-14)15-10;/h10-12,15H,1-9H2;1H/t10-,11+,14?;
InChIKeySKUDHPOEGXHALI-LSHWYJCTSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The IUPAC name of (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride (CID 171327468) is (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride.
What is the SMILES notation for (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The canonical SMILES for (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride is Cl.O=C1OC2(CCN1C1CCC1)C[C@H]1CC[C@@H](C2)N1.
What is the InChIKey of (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
The InChIKey is SKUDHPOEGXHALI-LSHWYJCTSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c17-13-16(12-2-1-3-12)7-6-14(18-13)8-10-4-5-11(9-14)15-10;/h10-12,15H,1-9H2;1H/t10-,11+,14?;.
What are the key properties of (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride?
(1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S)-3-cyclobutylspiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride is sourced from PubChem (CID 171327468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).