(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C8H14N2O2 — CID 92856796

IUPAC(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCN1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C8H14N2O2/c1-2-9-3-4-10-7(5-9)6-12-8(10)11/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeySGXADSKBQHIQTF-SSDOTTSWSA-N
MW170.21 g/mol
LogP0.14
Rot. Bonds1

About (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 92856796) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID92856796
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCN1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C8H14N2O2/c1-2-9-3-4-10-7(5-9)6-12-8(10)11/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeySGXADSKBQHIQTF-SSDOTTSWSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 92856796) is (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCN1CCN2C(=O)OC[C@H]2C1.
What is the InChIKey of (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is SGXADSKBQHIQTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-9-3-4-10-7(5-9)6-12-8(10)11/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 92856796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).