(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride

C6H11ClN2O2 — CID 42614224

IUPAC(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride
SMILESCl.O=C1OC[C@H]2CNCCN12
InChIInChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H/t5-;/m1./s1
InChIKeyNEFDJLDMYYSLHW-NUBCRITNSA-N
MW178.62 g/mol
LogP-0.17
Rot. Bonds

About (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride

(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride (PubChem CID 42614224) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride
PubChem CID42614224
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride
SMILESCl.O=C1OC[C@H]2CNCCN12
InChIInChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H/t5-;/m1./s1
InChIKeyNEFDJLDMYYSLHW-NUBCRITNSA-N
XLogP-0.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride?
The IUPAC name of (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride (CID 42614224) is (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride is Cl.O=C1OC[C@H]2CNCCN12.
What is the InChIKey of (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride?
The InChIKey is NEFDJLDMYYSLHW-NUBCRITNSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H/t5-;/m1./s1.
What are the key properties of (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride?
(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride is sourced from PubChem (CID 42614224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).