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

C9H18N2O2 — CID 145026480

IUPAC1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane
SMILESCCC.O=C1OCC2CNCCN12
InChIInChI=1S/C6H10N2O2.C3H8/c9-6-8-2-1-7-3-5(8)4-10-6;1-3-2/h5,7H,1-4H2;3H2,1-2H3
InChIKeyIWOLEJUYWYOBPD-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds

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

1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane (PubChem CID 145026480) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane.

Molecular Properties

Compound Name1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane
PubChem CID145026480
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane
SMILESCCC.O=C1OCC2CNCCN12
InChIInChI=1S/C6H10N2O2.C3H8/c9-6-8-2-1-7-3-5(8)4-10-6;1-3-2/h5,7H,1-4H2;3H2,1-2H3
InChIKeyIWOLEJUYWYOBPD-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane?
The IUPAC name of 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane (CID 145026480) is 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane.
What is the SMILES notation for 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane?
The canonical SMILES for 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane is CCC.O=C1OCC2CNCCN12.
What is the InChIKey of 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane?
The InChIKey is IWOLEJUYWYOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C3H8/c9-6-8-2-1-7-3-5(8)4-10-6;1-3-2/h5,7H,1-4H2;3H2,1-2H3.
What are the key properties of 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane?
1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane has a molecular weight of 186.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;propane is sourced from PubChem (CID 145026480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).