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

C6H11ClN2O2 — CID 67239476

IUPAC3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1OCN2CCNCC12
InChIInChI=1S/C6H10N2O2.ClH/c9-6-5-3-7-1-2-8(5)4-10-6;/h5,7H,1-4H2;1H
InChIKeyDUFZXLPARBECDX-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.80
Rot. Bonds

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

3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride (PubChem CID 67239476) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride
PubChem CID67239476
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride
SMILESCl.O=C1OCN2CCNCC12
InChIInChI=1S/C6H10N2O2.ClH/c9-6-5-3-7-1-2-8(5)4-10-6;/h5,7H,1-4H2;1H
InChIKeyDUFZXLPARBECDX-UHFFFAOYSA-N
XLogP-0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride (CID 67239476) is 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride is Cl.O=C1OCN2CCNCC12.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride?
The InChIKey is DUFZXLPARBECDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c9-6-5-3-7-1-2-8(5)4-10-6;/h5,7H,1-4H2;1H.
What are the key properties of 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride?
3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one;hydrochloride is sourced from PubChem (CID 67239476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).